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I.B.1.d.2.

Bonds types in CCCBDB

All species with C-C bond.

Species Name List all bonds Experimental data
CH3CH methylmethylene List all bonds Experimental data
C2H5 Ethyl radical List all bonds Experimental data
C2H5 Ethyl radical List all bonds Experimental data
C2H5+ Ethyl cation List all bonds Experimental data
C2H5+ Ethyl cation List all bonds Experimental data
C2H6 Ethane List all bonds Experimental data
C2H6 Ethane List all bonds Experimental data
C2H6+ ethane cation List all bonds Experimental data
C2H6+ ethane cation List all bonds Experimental data
C3H3+ cyclopropenyl cation List all bonds Experimental data
C3H4 cyclopropene List all bonds Experimental data
CH3CCH propyne List all bonds Experimental data
C3H5 Allyl radical List all bonds Experimental data
C3H5 Allyl radical List all bonds Experimental data
C3H5+ Allyl cation List all bonds Experimental data
C3H5+ Allyl cation List all bonds Experimental data
CH3CHCH 1-propenyl radical List all bonds Experimental data
C3H6 Cyclopropane List all bonds Experimental data
CH2CHCH3 Propene List all bonds Experimental data
C3H7 Isopropyl radical List all bonds Experimental data
C3H7 n-Propyl radical List all bonds Experimental data
C3H8 Propane List all bonds Experimental data
CH3CN Acetonitrile List all bonds Experimental data
CH3CN Acetonitrile List all bonds Experimental data
CH3CN Acetonitrile List all bonds Experimental data
CH3CN- acetonitrile anion List all bonds Experimental data
CH3CN- acetonitrile anion List all bonds Experimental data
CH3CN- acetonitrile anion List all bonds Experimental data
CH3CN+ Acetonitrile cation List all bonds Experimental data
CH3CN+ Acetonitrile cation List all bonds Experimental data
CH3CN+ Acetonitrile cation List all bonds Experimental data
CH3CHN methylmethaniminyl radical List all bonds Experimental data
C2H5N Aziridine List all bonds Experimental data
CH3CHNH ethanimine List all bonds Experimental data
CH3CH2NH2 Ethylamine List all bonds Experimental data
CH2CHO Vinyloxy radical List all bonds Experimental data
CH3CO Acetyl radical List all bonds Experimental data
CH3CO Acetyl radical List all bonds Experimental data
CH3CO Acetyl radical List all bonds Experimental data
CH3CO- Acetyl anion List all bonds Experimental data
CH3CO- Acetyl anion List all bonds Experimental data
CH3CO- Acetyl anion List all bonds Experimental data
CH3CO+ acetyl cation List all bonds Experimental data
CH3CO+ acetyl cation List all bonds Experimental data
CH3CO+ acetyl cation List all bonds Experimental data
C2H4O Ethylene oxide List all bonds Experimental data
CH3CHO Acetaldehyde List all bonds Experimental data
C2H4S Thiirane List all bonds Experimental data
CH3CHS Thioacetaldehyde List all bonds Experimental data
CH2CH2OH 2-hydroxy ethyl radical List all bonds Experimental data
CH3CH2O Ethoxy radical List all bonds Experimental data
CH3CH2OH Ethanol List all bonds Experimental data
CH3CH2SH ethanethiol List all bonds Experimental data
C2H5F fluoroethane List all bonds Experimental data
CH3CH2Cl Ethyl chloride List all bonds Experimental data
C2H5Br Ethyl bromide List all bonds Experimental data
C4H2 Diacetylene List all bonds Experimental data
C4H2 Diacetylene List all bonds Experimental data
C4H2+ diacetlyene cation List all bonds Experimental data
C4H2+ diacetlyene cation List all bonds Experimental data
C2H3CCH 1-Buten-3-yne List all bonds Experimental data
C4H4 cyclobutadiene List all bonds Experimental data
C4H6 1-Methylcyclopropene List all bonds Experimental data
C4H6 Cyclobutene List all bonds Experimental data
C4H6 Cyclobutene List all bonds Experimental data
C4H6 Methylenecyclopropane List all bonds Experimental data
CH2CCHCH3 1,2-Butadiene List all bonds Experimental data
CH2CHCHCH2 1,3-Butadiene List all bonds Experimental data
CH3CCCH3 2-Butyne List all bonds Experimental data
CHCCH2CH3 1-Butyne List all bonds Experimental data
CH3CHCHCH2 methylallyl radical List all bonds Experimental data
CH2C(CH3)CH3 1-Propene, 2-methyl- List all bonds Experimental data
CH2CHCH2CH3 1-Butene List all bonds Experimental data
CH3CHCHCH3 2-Butene, (E)- List all bonds Experimental data
CH3CHCHCH3 2-Butene, (Z)- List all bonds Experimental data
C(CH3)3 Tert-butyl radical List all bonds Experimental data
CH2CH(CH3)2 Isobutyl radical List all bonds Experimental data
CH3CHCH2CH3 2-Butyl radical List all bonds Experimental data
CH3CH(CH3)CH3 Isobutane List all bonds Experimental data
CH3CH2CH2CH3 Butane List all bonds Experimental data
C2N2 Cyanogen List all bonds Experimental data
C2N2 Cyanogen List all bonds Experimental data
C2N2+ Cyanogen cation List all bonds Experimental data
C2N2+ Cyanogen cation List all bonds Experimental data
HCCCN Cyanoacetylene List all bonds Experimental data
HCCCN Cyanoacetylene List all bonds Experimental data
HCCCN+ Cyanoacetylene cation List all bonds Experimental data
HCCCN+ Cyanoacetylene cation List all bonds Experimental data
C3H3N acrylonitrile List all bonds Experimental data
C3H3N acrylonitrile List all bonds Experimental data
C3H3N+ acrylonitrile cation List all bonds Experimental data
C3H3N+ acrylonitrile cation List all bonds Experimental data
C2H5CN ethyl cyanide List all bonds Experimental data
C4H6 Bicyclo[1.1.0]butane List all bonds Experimental data
C4H6 Bicyclo[1.1.0]butane List all bonds Experimental data
C3H7N Cyclopropylamine List all bonds Experimental data
C4H8 cyclobutane List all bonds Experimental data
C2H8N2 Ethylenediamine List all bonds Experimental data
CH3CH(NH2)CH3 2-Propanamine List all bonds Experimental data
NH2CH2CH2CH3 1-Propanamine List all bonds Experimental data
C2H2O2 Ethanedial List all bonds Experimental data
C2H2O2 Ethanedial List all bonds Experimental data
C2H2O2+ Ethanedial cation List all bonds Experimental data
C2H2O2+ Ethanedial cation List all bonds Experimental data
CH3COO- acetate anion List all bonds Experimental data
C3H4O 2-Propyn-1-ol List all bonds Experimental data
C3H4O Cyclopropanone List all bonds Experimental data
C3H4O Methylketene List all bonds Experimental data
CH2CHCHO Acrolein List all bonds Experimental data
CH3COOH Acetic acid List all bonds Experimental data
CHOCH2OH hydroxy acetaldehyde List all bonds Experimental data
CH3CHNOH Acetaldoxime List all bonds Experimental data
CH3CONH2 Acetamide List all bonds Experimental data
C2H5OO ethylperoxy radical List all bonds Experimental data
C3H6O 2-Propen-1-ol List all bonds Experimental data
C3H6O Oxetane List all bonds Experimental data
C3H6O Propylene oxide List all bonds Experimental data
CH3CH2CHO Propanal List all bonds Experimental data
CH3COCH3 Acetone List all bonds Experimental data
CH3COCH3 Acetone List all bonds Experimental data
CH3COCH3- acetone anion List all bonds Experimental data
CH3COCH3- acetone anion List all bonds Experimental data
C3H6S Thietane List all bonds Experimental data
C3H6S Thiirane, methyl- List all bonds Experimental data
CH3CSCH3 Thioacetone List all bonds Experimental data
C2H6O2 1,2-Ethanediol List all bonds Experimental data
CH2SHCH2SH 1,2-Ethanedithiol List all bonds Experimental data
HOCH2CH2NH2 monoethanolamine List all bonds Experimental data
C3H7OH 1-Propanol List all bonds Experimental data
CH3CHOHCH3 Isopropyl alcohol List all bonds Experimental data
CH3OC2H5 Ethane, methoxy- List all bonds Experimental data
C3H7SH 1-Propanethiol List all bonds Experimental data
CH3CHSHCH3 2-Propanethiol List all bonds Experimental data
CH3SCH2CH3 Ethane, (methylthio)- List all bonds Experimental data
CH3COF Acetyl fluoride List all bonds Experimental data
CH2ClCHO chloroacetaldehyde List all bonds Experimental data
CH3COCl Acetyl Chloride List all bonds Experimental data
C2H4F2 1,2-difluoroethane List all bonds Experimental data
CH3CHF2 Ethane, 1,1-difluoro- List all bonds Experimental data
CH3CHFCl Ethane, 1-chloro-1-fluoro- List all bonds Experimental data
CH2ClCH2Cl Ethane, 1,2-dichloro- List all bonds Experimental data
CH3CHCl2 Ethane, 1,1-dichloro- List all bonds Experimental data
CH2BrCH2Br Ethane, 1,2-dibromo- List all bonds Experimental data
C3H5Cl 1-Propene, 3-chloro- List all bonds Experimental data
C3H5Cl 1-chloro-1-propene(E) List all bonds Experimental data
C3H5Cl 1-chloro-1-propene(Z) List all bonds Experimental data
CH3CH2CH2Br n-propyl bromide List all bonds Experimental data
CH3CHBrCH3 i-propyl bromide List all bonds Experimental data
CH2ClCH2CH3 Propane, 1-chloro- List all bonds Experimental data
CH3CHClCH3 Propane, 2-chloro- List all bonds Experimental data
C5H5- cylopentadienyl anion List all bonds Experimental data
C5H6 1,3-Cyclopentadiene List all bonds Experimental data
C5H6 1,3-Cyclopentadiene List all bonds Experimental data
C5H6 1-Buten-3-yne, 2-methyl- List all bonds Experimental data
C5H6 3-Penten-1-yne, (E)- List all bonds Experimental data
C5H6 3-Penten-1-yne, (Z)- List all bonds Experimental data
C5H6 Bicyclo[2.1.0]pent-2-ene List all bonds Experimental data
C5H6 Cyclopropylacetylene List all bonds Experimental data
C5H7 1,3-pentadienyl radical List all bonds Experimental data
C5H7 cyclopentenyl radical List all bonds Experimental data
C5H8 1,2-Butadiene, 3-methyl- List all bonds Experimental data
C5H8 1,2-Pentadiene List all bonds Experimental data
C5H8 1,3-Butadiene, 2-methyl- List all bonds Experimental data
C5H8 1,3-Pentadiene, (E)- List all bonds Experimental data
C5H8 1,3-Pentadiene, (Z)- List all bonds Experimental data
C5H8 1,4-Pentadiene List all bonds Experimental data
C5H8 1-pentyne List all bonds Experimental data
C5H8 2,3-Pentadiene List all bonds Experimental data
C5H8 Cyclobutane, methylene- List all bonds Experimental data
C5H8 Cyclopentene List all bonds Experimental data
C5H8 Ethenylcyclopropane List all bonds Experimental data
C5H10 1-Butene, 2-methyl- List all bonds Experimental data
C5H10 2-Butene, 2-methyl- List all bonds Experimental data
C5H10 2-Pentene, (E)- List all bonds Experimental data
C5H10 2-Pentene, (Z)- List all bonds Experimental data
C5H10 Cyclopentane List all bonds Experimental data
C5H10 Cyclopropane, 1,1-dimethyl- List all bonds Experimental data
CH2CHCH2CH2CH3 1-pentene List all bonds Experimental data
C5H11 2-Methylbut-2-yl radical List all bonds Experimental data
C5H12 Butane, 2-methyl- List all bonds Experimental data
C5H12 Pentane List all bonds Experimental data
C5H12 Propane, 2,2-dimethyl- List all bonds Experimental data
C3H2N2 Malononitrile List all bonds Experimental data
C3H3N2 imidazolyl radical List all bonds Experimental data
C3H3N2- imidizolyl anion List all bonds Experimental data
C4H4N pyrrolide radical List all bonds Experimental data
C4H4N pyrrolide radical List all bonds Experimental data
C4H4N- pyrrolide anion List all bonds Experimental data
C4H4N- pyrrolide anion List all bonds Experimental data
C3H4N2 1H-Pyrazole List all bonds Experimental data
C3H4N2 2H-Imidazole List all bonds Experimental data
C3H4N2 4H-Imidazole List all bonds Experimental data
C4H5N (E)-2-Butenenitrile List all bonds Experimental data
C4H5N (Z)-2-Butenenitrile List all bonds Experimental data
C4H5N 2H-pyrrole List all bonds Experimental data
C4H5N 3H-pyrrole List all bonds Experimental data
C4H5N Cyclopropanecarbonitrile List all bonds Experimental data
C4H5N Pyrrole List all bonds Experimental data
C3H6N2 3-Aminopropionitrile List all bonds Experimental data
CH3CH(CH3)CN Propanenitrile, 2-methyl- List all bonds Experimental data
CH3CH2CH2CN Butanenitrile List all bonds Experimental data
C5H8 Bicyclo[2.1.0]pentane List all bonds Experimental data
C5H8 Spiropentane List all bonds Experimental data
C4H9N Cyclobutylamine List all bonds Experimental data
C4H9N Pyrrolidine List all bonds Experimental data
C3H10N2 1,2-Diaminopropane List all bonds Experimental data
C(CH3)3NH2 2-Propanamine, 2-methyl- List all bonds Experimental data
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- List all bonds Experimental data
C(NH2)H2CH2CH2CH3 1-Butanamine List all bonds Experimental data
CH3C(NH2)HCH2CH3 2-Butanamine List all bonds Experimental data
C3H2O2 Propiolic acid List all bonds Experimental data
CHOCOOH oxo acetic acid List all bonds Experimental data
C3H3NO Isoxazole List all bonds Experimental data
CH3C(O)OO acetyl peroxy radical List all bonds Experimental data
C4H4O Furan List all bonds Experimental data
C4H4S Thiophene List all bonds Experimental data
C3H4O2 β–Propiolactone List all bonds Experimental data
C3H4O2 2-Propenoic acid List all bonds Experimental data
C3H4O2 Methyl glyoxal List all bonds Experimental data
C3H4O2 propanedial List all bonds Experimental data
C3H4O2 propenalol List all bonds Experimental data
C2H4O3 1,2,3-trioxolane List all bonds Experimental data
HOCH2COOH Hydroxyacetic acid List all bonds Experimental data
CH2CHCONH2 Acrylamide List all bonds Experimental data
CH3OCH2CN Methoxyacetonitrile List all bonds Experimental data
H2NCH2COOH Glycine List all bonds Experimental data
C4H6O cis-2-butenal List all bonds Experimental data
C4H6O Cyclobutanone List all bonds Experimental data
C4H6O Cyclobutanone List all bonds Experimental data
C4H6O Furan, 2,3-dihydro- List all bonds Experimental data
C4H6O Furan, 2,5-dihydro- List all bonds Experimental data
CHOCHCHCH3 2-Butenal List all bonds Experimental data
C4H6S Thiophene, 2,3-dihydro- List all bonds Experimental data
C4H6S Thiophene, 2,5-dihydro- List all bonds Experimental data
C3H6O2 1,3-Dioxolane List all bonds Experimental data
CH3CH2COOH Propanoic Acid List all bonds Experimental data
CH3COOCH3 methyl acetate List all bonds Experimental data
HCOOC2H5 Ethyl formate List all bonds Experimental data
C3H7NO Propanamide List all bonds Experimental data
C2H3OC2H5 Ethene, ethoxy- List all bonds Experimental data
C4H8O Cyclobutanol List all bonds Experimental data
C4H8O Furan, tetrahydro- List all bonds Experimental data
CH2C(CH3)OCH3 1-Propene, 2-methoxy- List all bonds Experimental data
CH3COCH2CH3 2-Butanone List all bonds Experimental data
CHOCH(CH3)CH3 Propanal, 2-methyl- List all bonds Experimental data
CHOCH2CH2CH3 Butanal List all bonds Experimental data
C4H8S Thiophene, tetrahydro- List all bonds Experimental data
C3H8O2 1,3-Propanediol List all bonds Experimental data
C3H8O2 Hydroperoxide, 1-methylethyl List all bonds Experimental data
C3H8O2 Propylene glycol List all bonds Experimental data
C3H8S2 1,3-Propanedithiol List all bonds Experimental data
C4H10O 1-Butanol List all bonds Experimental data
C4H10O 1-Propanol, 2-methyl- List all bonds Experimental data
C4H10O 2-Butanol, (.+/-.)- List all bonds Experimental data
C4H10O Ethanol, 1,1-dimethyl- List all bonds Experimental data
C4H10O Ethoxy ethane List all bonds Experimental data
C4H10O Methyl propyl ether List all bonds Experimental data
C4H10O Propane, 2-methoxy- List all bonds Experimental data
C(CH3)3SH 2-Propanethiol, 2-methyl- List all bonds Experimental data
C2H5SC2H5 Diethyl sulfide List all bonds Experimental data
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- List all bonds Experimental data
CH3C(SCH3)HCH3 Propane, 2-(methylthio)- List all bonds Experimental data
CH3CH(SH)CH2CH3 2-Butanethiol List all bonds Experimental data
CHCl2CHO dichloroacetaldehyde List all bonds Experimental data
CH3CF3 Ethane, 1,1,1-trifluoro- List all bonds Experimental data
CH3CF2Cl 1-Chloro-1,1-Difluoroethane List all bonds Experimental data
CH3CFCl2 1,1-Dichloro-1-fluoroethane List all bonds Experimental data
CH2ClCHCl2 1,1,2-trichloroethane List all bonds Experimental data
CH3CCl3 Ethane, 1,1,1-trichloro- List all bonds Experimental data
CH3CBr3 1,1,1-tribromoethane List all bonds Experimental data
C3H5ClO Oxirane, (chloromethyl)- List all bonds Experimental data
CH2ClCHClCH3 Propane, 1,2-dichloro- List all bonds Experimental data
CH3CCl2CH3 Propane, 2,2-dichloro- List all bonds Experimental data
CH2CClCH2CH3 1-Butene, 2-chloro- List all bonds Experimental data
CH2CHCH2CH2Cl 1-Butene, 4-chloro- List all bonds Experimental data
CH2CHCHClCH3 1-Butene, 3-chloro- List all bonds Experimental data
CH2ClCHCHCH3 2-Butene, 1-chloro- List all bonds Experimental data
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- List all bonds Experimental data
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- List all bonds Experimental data
CHClCHCH2CH3 (E)-1-Chloro-1-butene List all bonds Experimental data
CHClCHCH2CH3 (Z)-1-Chloro-1-butene List all bonds Experimental data
CH2ClCH2CH2CH3 Butane, 1-chloro- List all bonds Experimental data
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- List all bonds Experimental data
CH3CHClCH2CH3 Butane, 2-chloro- List all bonds Experimental data
C6H2 hexatriyne List all bonds Experimental data
C6H4 (E)-Hexa-1,5-diyne-3-ene List all bonds Experimental data
C6H4 (Z)-Hexa-1,5-diyne-3-ene List all bonds Experimental data
C6H4 Benzyne List all bonds Experimental data
C6H6 1,2,4,5-Hexatetraene List all bonds Experimental data
C6H6 2,4-Hexadiyne List all bonds Experimental data
C6H6 Hexa-1,5-diene-3-yne List all bonds Experimental data
C6H6 Trimethylenecycopropane List all bonds Experimental data
C6H8 1,3,5-Hexatriene, (E)- List all bonds Experimental data
C6H8 1,3,5-Hexatriene, (Z)- List all bonds Experimental data
C6H8 1,3-Cyclohexadiene List all bonds Experimental data
C6H8 1,4-Cyclohexadiene List all bonds Experimental data
C6H8 3-Methylenecyclopentene List all bonds Experimental data
C6H8 Bicyclo[2.1.1]hex-2-ene List all bonds Experimental data
C6H8 Bicyclo[2.2.0]hex-1(4)-ene List all bonds Experimental data
C6H8 Bicyclo[3.1.0]hex-2-ene List all bonds Experimental data
C6H8 cis-2,3,4-Hexatriene List all bonds Experimental data
C6H8 trans-2,3,4-Hexatriene List all bonds Experimental data
C6H10 1,3-Hexadiene, (E)- List all bonds Experimental data
C6H10 1,3-Hexadiene, (Z)- List all bonds Experimental data
C6H10 1,4-Hexadiene, (E)- List all bonds Experimental data
C6H10 1,4-Hexadiene, (Z)- List all bonds Experimental data
C6H10 1,5-Hexadiene List all bonds Experimental data
C6H10 1-Butyne, 3,3-dimethyl- List all bonds Experimental data
C6H10 1-Hexyne List all bonds Experimental data
C6H10 2,4-Hexadiene, (E,E)- List all bonds Experimental data
C6H10 2,4-Hexadiene, (E,Z)- List all bonds Experimental data
C6H10 2,4-Hexadiene, (Z,Z)- List all bonds Experimental data
C6H10 2-Hexyne List all bonds Experimental data
C6H10 3-Hexyne List all bonds Experimental data
C6H10 cyclohexene List all bonds Experimental data
C6H10 Cyclopentene, 1-methyl- List all bonds Experimental data
C6H10 Cyclopentene, 3-methyl- List all bonds Experimental data
C6H10 Cyclopentene, 4-methyl- List all bonds Experimental data
C4H6(CH3)2 dimethylcyclobutane List all bonds Experimental data
C6H12 1-Butene, 2,3-dimethyl- List all bonds Experimental data
C6H12 1-Hexene List all bonds Experimental data
C6H12 2-Butene, 2,3-dimethyl- List all bonds Experimental data
C6H12 2-Hexene, (E)- List all bonds Experimental data
C6H12 2-Hexene, (Z)- List all bonds Experimental data
C6H12 2-Pentene, 3-methyl-, (E)- List all bonds Experimental data
C6H12 2-Pentene, 3-methyl-, (Z)- List all bonds Experimental data
C6H12 cis-1,2-dimethylcyclobutane List all bonds Experimental data
C6H12 cis-1,3-dimethylcyclobutane List all bonds Experimental data
C6H12 Cyclobutane, ethyl- List all bonds Experimental data
C6H12 Cyclohexane List all bonds Experimental data
C6H12 Cyclopentane, methyl- List all bonds Experimental data
C6H12 e-Hex-3-ene List all bonds Experimental data
C6H12 Pentane, 3-methylene- List all bonds Experimental data
C6H12 trans-1,2-dimethylcyclobutane List all bonds Experimental data
C6H12 trans-1,3-dimethylcyclobutane List all bonds Experimental data
C6H14 Butane, 2,2-dimethyl- List all bonds Experimental data
C6H14 Butane, 2,3-dimethyl- List all bonds Experimental data
C6H14 Hexane List all bonds Experimental data
C6H14 Pentane, 2-methyl- List all bonds Experimental data
C6H14 Pentane, 3-methyl- List all bonds Experimental data
C4N2 2-Butynedinitrile List all bonds Experimental data
C4H2N2 Fumaronitrile List all bonds Experimental data
C4H4N2 Succinonitrile List all bonds Experimental data
C2H4N4 1H-Tetrazole, 5-methyl- List all bonds Experimental data
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile List all bonds Experimental data
C6H6 Fulvene List all bonds Experimental data
C4H6N2 1H-Imidazole, 2-methyl- List all bonds Experimental data
C5H7N (E)-2-Pentenenitrile List all bonds Experimental data
C5H7N (E)-3-Pentenenitrile List all bonds Experimental data
C5H7N (Z)-2-Pentenenitrile List all bonds Experimental data
C5H7N 1H-Pyrrole, 1-methyl- List all bonds Experimental data
C5H7N Cyclobutanecarbonitrile List all bonds Experimental data
C5H9N 1,2,3,6-Tetrahydropyridine List all bonds Experimental data
C5H9N Butanenitrile, 2-methyl- List all bonds Experimental data
C5H9N Pentanenitrile List all bonds Experimental data
C5H9N Propanenitrile, 2,2-dimethyl- List all bonds Experimental data
C6H10 Bicyclo[3.1.0]hexane List all bonds Experimental data
C5H11N Cyclopentanamine List all bonds Experimental data
C5H11N Piperidine List all bonds Experimental data
C4H12N2 1,2-Butanediamine List all bonds Experimental data
C4H12N2 2-Methyl-1,2-propanediamine List all bonds Experimental data
C2O4-2 oxalate anion List all bonds Experimental data
C2H2O4 Oxalic Acid List all bonds Experimental data
C2H3NO3 Oxamic acid List all bonds Experimental data
C4H4O2 2-Oxetanone, 4-methylene- List all bonds Experimental data
C2H4N2O2 Oxalamide List all bonds Experimental data
C2H4N2S2 Ethanedithioamide List all bonds Experimental data
C2H4CO3 Ethylene carbonate List all bonds Experimental data
C3H4O2S 2H-Thiete-1,1-dioxide List all bonds Experimental data
C3H4S3 1,3-Dithiolane-2-thione List all bonds Experimental data
C4H5NO 3-Methylisoxazole List all bonds Experimental data
C4H5NO Isoxazole, 5-methyl- List all bonds Experimental data
C4H5NS 4-Methylthiazole List all bonds Experimental data
C2H5NO3 Nitric acid, ethyl ester List all bonds Experimental data
C5H6O 2-methylfuran List all bonds Experimental data
C5H6O 3-Methylfuran List all bonds Experimental data
C5H6S Thiophene, 2-methyl- List all bonds Experimental data
C5H6S Thiophene, 3-methyl- List all bonds Experimental data
C4H6O2 γ–Butyrolactone List all bonds Experimental data
C4H6O2 2,3-Butanedione List all bonds Experimental data
C4H6O2 2-Propenoic acid, methyl ester List all bonds Experimental data
C4H6O2 Crotonic Acid List all bonds Experimental data
C4H6OS 2,3-dihydrothiophene-2-ol List all bonds Experimental data
C4H6OS 2,5-dihydrothiophene-3-ol List all bonds Experimental data
C4H6OS 4,5-dihydrothiophene-2-ol List all bonds Experimental data
C4H6OS 4,5-dihydrothiophene-3-ol List all bonds Experimental data
C4H6OS Dihydro-2-(3H)-thiophenone List all bonds Experimental data
C4H6OS Dihydro-3-(2H)-thiophenone List all bonds Experimental data
C4H7NO 2-Pyrrolidinone List all bonds Experimental data
C4H7NO Ethoxyacetonitrile List all bonds Experimental data
C4H7NO Methacrylamide List all bonds Experimental data
C4H7NO Oxazole, 4,5-dihydro-2-methyl- List all bonds Experimental data
C3H7ONO Propyl nitrite List all bonds Experimental data
CH3CH(CH3)ONO Iso-propyl nitrite List all bonds Experimental data
CH3CH(NH2)COOH Alanine List all bonds Experimental data
CH3NHCH2COOH Sarcosine List all bonds Experimental data
NH2CH2CH2COOH β–alanine List all bonds Experimental data
NH2COOC2H5 Urethane List all bonds Experimental data
C5H8O 2H-Pyran, 3,4-dihydro- List all bonds Experimental data
C5H8O Cyclopentanone List all bonds Experimental data
C5H8O Furan, 2,3-dihydro-5-methyl- List all bonds Experimental data
C5H8O Methyl cyclopropyl ketone List all bonds Experimental data
NH2CONHC2H5 Urea, ethyl- List all bonds Experimental data
C4H8O2 1,3-Dioxane List all bonds Experimental data
C4H8O2 1,3-Dioxolane, 2-methyl- List all bonds Experimental data
C4H8O2 1,4-Dioxane List all bonds Experimental data
C4H8O2 Ethyl acetate List all bonds Experimental data
C4H8OS s-Ethyl thioacetate List all bonds Experimental data
C3H8O3 1,2,3-Propanetriol List all bonds Experimental data
C3H8O2S (Methylsulphonyl)ethane List all bonds Experimental data
C4H9NO Butanamide List all bonds Experimental data
C4H9NO Propanamide, 2-methyl- List all bonds Experimental data
C5H10O 2-Butanone, 3-methyl- List all bonds Experimental data
C5H10O 2H-Pyran, tetrahydro- List all bonds Experimental data
C5H10O 2-Pentanone List all bonds Experimental data
C5H10O 3-Pentanone List all bonds Experimental data
C5H10O Cyclopentanol List all bonds Experimental data
C5H10O Oxetane, 3,3-dimethyl- List all bonds Experimental data
C5H10O Pentanal List all bonds Experimental data
C5H10S 2H-Thiopyran, tetrahydro- List all bonds Experimental data
C5H10S 3-Ethylthio-1-propene List all bonds Experimental data
C5H10S Cyclopentanethiol List all bonds Experimental data
C5H10S Thiophene, tetrahydro-2-methyl- List all bonds Experimental data
C5H10S Thiophene, tetrahydro-3-methyl- List all bonds Experimental data
C4H10O2 1,1-Dimethoxyethane List all bonds Experimental data
C4H10O2 1,3-Butanediol List all bonds Experimental data
C4H10O2 1,4-Butanediol List all bonds Experimental data
C4H10O2 Ethane, 1,2-dimethoxy- List all bonds Experimental data
C4H10OS Diethyl sulfoxide List all bonds Experimental data
C4H10S2 1,4-Butanedithiol List all bonds Experimental data
C4H11NO Diethylhydroxylamine List all bonds Experimental data
C5H12O 1-Butanol, 2-methyl- List all bonds Experimental data
C5H12O 1-Butanol, 3-methyl- List all bonds Experimental data
C5H12O 1-Pentanol List all bonds Experimental data
C5H12O 2-Butanol, 3-methyl- List all bonds Experimental data
C5H12O 2-Pentanol List all bonds Experimental data
C5H12O 3-Pentanol List all bonds Experimental data
C5H12O Butane, 1-methoxy- List all bonds Experimental data
C5H12O Propane, 1-ethoxy- List all bonds Experimental data
C5H12O Propane, 2-methoxy-2-methyl- List all bonds Experimental data
C5H12S 1-Butanethiol, 2-methyl- List all bonds Experimental data
C5H12S 1-Butanethiol, 3-methyl- List all bonds Experimental data
C5H12S 1-Pentanethiol List all bonds Experimental data
C5H12S 1-Propanethiol, 2,2-dimethyl- List all bonds Experimental data
C5H12S 2-Butanethiol, 2-methyl- List all bonds Experimental data
C5H12S 2-Butanethiol, 3-methyl- List all bonds Experimental data
C5H12S Butane, 1-(methylthio)- List all bonds Experimental data
C5H12S Ethyl propyl sulfide List all bonds Experimental data
C5H12S Propane, 2-(ethylthio)- List all bonds Experimental data
C5H12S Propane, 2-methyl-2-(methylthio)- List all bonds Experimental data
CF3CN Acetonitrile, trifluoro- List all bonds Experimental data
CF3CHO trifluoroacetaldehyde List all bonds Experimental data
CCl3CHO trichloroacetaldehyde List all bonds Experimental data
CF3CH2F 1,1,1,2-tetrafluoroethane List all bonds Experimental data
CHF2CHF2 1,1,2,2-tetrafluoroethane List all bonds Experimental data
CF3CH2Cl 2,2,2-Trifluoroethyl chloride List all bonds Experimental data
CF3COOH trifluoroacetic acid List all bonds Experimental data
C3H5ClO2 Carbonochloridic acid, ethyl ester List all bonds Experimental data
C3H5Cl3 Propane, 1,2,3-trichloro- List all bonds Experimental data
C4H8Cl2 1,4-Dichlorobutane List all bonds Experimental data
C4H8Cl2 Butane, 1,2-dichloro- List all bonds Experimental data
C4H8Cl2 Butane, 1,3-dichloro- List all bonds Experimental data
C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- List all bonds Experimental data
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- List all bonds Experimental data
C4H9ClO 1-Chloro-2-ethoxyethane List all bonds Experimental data
C5H11Cl Pentane, 1-chloro- List all bonds Experimental data
C7H7 cycloheptatrienyl radical List all bonds Experimental data
C7H7 cycloheptatrienyl radical List all bonds Experimental data
C7H7+ cycloheptatrienyl cation List all bonds Experimental data
C7H7+ cycloheptatrienyl cation List all bonds Experimental data
C6H5CH3 toluene List all bonds Experimental data
C7H8 Norbornadiene List all bonds Experimental data
C7H12 Norbornane List all bonds Experimental data
C7H14 cycloheptane List all bonds Experimental data
C7H16 2-methylhexane List all bonds Experimental data
C7H16 3-methylhexane List all bonds Experimental data
C7H16 heptane List all bonds Experimental data
C6H7N 2-Methylpyridine List all bonds Experimental data
C6H13N 2-Methylpiperidine List all bonds Experimental data
C6H13N cyclohexanamine List all bonds Experimental data
C6H15N triethylamine List all bonds Experimental data
C4H2O3 Maleic Anhydride List all bonds Experimental data
C5H4O2 4-Cyclopentene-1,3-dione List all bonds Experimental data
C5H4O2 furfural List all bonds Experimental data
C5H5NO 2(1H)-Pyridinone List all bonds Experimental data
C5H5NO 2(3H)-Pyridinone List all bonds Experimental data
C5H5NO 2(5H)-Pyridinone List all bonds Experimental data
C5H5NO 3(2H)-Pyridinone List all bonds Experimental data
C5H5NO 3(4H)-Pyridinone List all bonds Experimental data
C5H5NO 3(6H)-Pyridinone List all bonds Experimental data
C5H5NO 4(1H)-Pryidinone List all bonds Experimental data
C5H5NO 4(3H)-Pryidinone List all bonds Experimental data
C6H6O 2,4-Cyclohexadienone List all bonds Experimental data
C6H6O 2,5-Cyclohexadienone List all bonds Experimental data
HO2CCHNH2CH2OH Serine List all bonds Experimental data
C5H8O2 Acetylacetone List all bonds Experimental data
C6H10O cyclohexanone List all bonds Experimental data
C3H7OC3H7 di-n-propyl ether List all bonds Experimental data
CF3COF trifluoroacetyl fluoride List all bonds Experimental data
CF3COCl trifluoroacetyl chloride List all bonds Experimental data
CF3CHFCl 1,1,1,2-tetrafluorochloroethane List all bonds Experimental data
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane List all bonds Experimental data
C8H6 Calicene List all bonds Experimental data
C6H5CCH phenylacetylene List all bonds Experimental data
C8H6 benzocyclobutadiene List all bonds Experimental data
C8H6 Pentalene List all bonds Experimental data
C6H5CHCH2 Styrene List all bonds Experimental data
C8H8 cubane List all bonds Experimental data
C8H8 cyclooctatetraene List all bonds Experimental data
C6H5CH2CH3 Ethylbenzene List all bonds Experimental data
CH3C6H4CH3 meta-xylene List all bonds Experimental data
CH3C6H4CH3 paraxylene List all bonds Experimental data
C8H14 Bicyclo[2.2.2]octane List all bonds Experimental data
C8H16 cyclooctane List all bonds Experimental data
(CH3)3CC(CH3)3 tetramethylbutane List all bonds Experimental data
C8H18 Octane List all bonds Experimental data
C6H5CN phenyl cyanide List all bonds Experimental data
C6H12N2 Triethylenediamine List all bonds Experimental data
C6H4O2 parabenzoquinone List all bonds Experimental data
C4H4N2O2 Uracil List all bonds Experimental data
C6H5CHO benzaldehyde List all bonds Experimental data
C6H12O2 Methyl pivalate List all bonds Experimental data
C6H12O2 Hexanoic acid List all bonds Experimental data
C4F4 tetrafluorcyclobutadiene List all bonds Experimental data
CF3CF2Cl pentafluorochloroethane List all bonds Experimental data
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane List all bonds Experimental data
CF3CFCl2 1,1-Dichlorotetrafluoroethane List all bonds Experimental data
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- List all bonds Experimental data
C2F6 hexafluoroethane List all bonds Experimental data
C2Cl6 hexachloroethane List all bonds Experimental data
C9H8 Indene List all bonds Experimental data
C9H8 sprio[4.4]nona-1,3,6,8-tetraene List all bonds Experimental data
C9H12 n-propyl benzene List all bonds Experimental data
C(CN)4 tetracyanomethane List all bonds Experimental data
C8H7N Indole List all bonds Experimental data
C6H5COOH benzoic acid List all bonds Experimental data
CH3COC6H5 acetophenone List all bonds Experimental data
C10H16 adamantane List all bonds Experimental data
C6N4 Tetracyanoethylene List all bonds Experimental data
C6N4 Tetracyanoethylene List all bonds Experimental data
C6N4- tetracyanoethylene anion List all bonds Experimental data
C6N4- tetracyanoethylene anion List all bonds Experimental data
C4F6 perfluorobutadiene List all bonds Experimental data
C3F8 perfluoropropane List all bonds Experimental data
C12H8 biphenylene List all bonds Experimental data
C12H10 biphenyl List all bonds Experimental data
C12H10 Heptalene List all bonds Experimental data
C6H12O6 Inositol List all bonds Experimental data