| bond type |
Species |
Name |
Length |
Comment |
| rCC |
C4N2 |
2-Butynedinitrile |
1.370 |
|
| rCC |
HCCCN |
Cyanoacetylene |
1.376 |
|
| rCC |
C4H2 |
Diacetylene |
1.378 |
|
| rCC |
C2N2 |
Cyanogen |
1.389 |
|
| rCC |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.398 |
!assumed, from ring out |
| rCC |
C2H2CO |
cyclopropenone |
1.412 |
|
| rCC |
C9H8 |
Indene |
1.415 |
mean value of ALL CC bonds |
| rCC |
C4H5N |
Pyrrole |
1.417 |
|
| rCC |
C3H4N2 |
1H-Pyrazole |
1.417 |
|
| rCC |
C6H12O |
hexanal |
1.420 |
|
| rCC |
C2H2N2O |
Furazan |
1.421 |
|
| rCC |
C5H6 |
Cyclopropylacetylene |
1.422 |
|
| rCC |
C5H6S |
Thiophene, 3-methyl- |
1.423 |
!assumed, between 2= |
| rCC |
C4H4S |
Thiophene |
1.423 |
|
| rCC |
C3H3NO |
Isoxazole |
1.425 |
|
| rCC |
C3H3N |
acrylonitrile |
1.426 |
|
| rCC |
C4H5NO |
Isoxazole, 5-methyl- |
1.427 |
!assumed, opp O |
| rCC |
C4H5NO |
3-Methylisoxazole |
1.427 |
!assumed, opp N |
| rCC |
C3H5 |
Allyl radical |
1.428 |
|
| rCC |
C4H4N2O2 |
Uracil |
1.430 |
|
| rCC |
C4H4O |
Furan |
1.431 |
|
| rCC |
C4H5N |
(E)-2-Butenenitrile |
1.432 |
next to C=N |
| rCC |
C4H4Se |
selenophene |
1.433 |
|
| rCC |
C2H3CCH |
1-Buten-3-yne |
1.434 |
|
| rCC |
C6H6 |
Trimethylenecycopropane |
1.437 |
|
| rCC |
C5H6 |
1-Buten-3-yne, 2-methyl- |
1.445 |
between # and = |
| rCC |
C6H5CCH |
phenylacetylene |
1.448 |
|
| rCC |
C6H5CN |
phenyl cyanide |
1.451 |
|
| rCC |
C6H6 |
Benzvalene |
1.452 |
|
| rCC |
HCCCHO |
2-propynal |
1.453 |
|
| rCC |
C5H7N |
Cyclobutanecarbonitrile |
1.454 |
|
| rCC |
CH2ClCCCl |
1,3-dichloropropyne |
1.456 |
|
| rCC |
CHCCH2CH3 |
1-Butyne |
1.457 |
|
| rCC |
C4H6 |
Methylenecyclopropane |
1.457 |
from =C-C |
| rCC |
CH3CN |
Acetonitrile |
1.458 |
|
| rCC |
C6H8 |
(Z)-hexa-1,3,5-triene |
1.458 |
|
| rCC |
C3H2N2 |
Malononitrile |
1.459 |
average structure |
| rCC |
C2H4O |
Ethylene oxide |
1.459 |
|
| rCC |
CH3CCH |
propyne |
1.460 |
|
| rCC |
C5H6 |
1,3-Cyclopentadiene |
1.460 |
|
| rCC |
CH(CN)3 |
tricyanomethane |
1.460 |
|
| rCC |
C5H8 |
1,3-Butadiene, 2-methyl- |
1.463 |
both C's have = |
| rCC |
C4H4N2 |
Succinonitrile |
1.465 |
end CC bond |
| rCC |
C10H10 |
bullvalene |
1.465 |
|
| rCC |
C6H8 |
1,3-Cyclohexadiene |
1.466 |
single bond between double bonds |
| rCC |
CH3CCCH3 |
2-Butyne |
1.468 |
|
| rCC |
CH2CHCHO |
Acrolein |
1.468 |
|
| rCC |
C2H5CN |
ethyl cyanide |
1.468 |
|
| rCC |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
1.469 |
|
| rCC |
C6H6 |
Fulvene |
1.470 |
from C with methylene |
| rCC |
CHOCHCHCH3 |
2-Butenal |
1.470 |
!assumed, from C=O |
| rCC |
C8H8 |
cyclooctatetraene |
1.470 |
re |
| rCC |
C3H6O |
Propylene oxide |
1.471 |
!assumed, opp O |
| rCC |
C4H5N |
Cyclopropanecarbonitrile |
1.472 |
towards C#N |
| rCC |
C3H5ClO |
Oxirane, (chloromethyl)- |
1.475 |
ring |
| rCC |
C5H8 |
Ethenylcyclopropane |
1.475 |
out of ring |
| rCC |
C3H4O |
Cyclopropanone |
1.475 |
|
| rCC |
C4H6 |
1-Methylcyclopropene |
1.476 |
|
| rCC |
C6H6 |
Fulvene |
1.476 |
opposite methylene |
| rCC |
CH2CHCHCH2 |
1,3-Butadiene |
1.476 |
|
| rCC |
C5H9N |
Pentanenitrile |
1.478 |
towards N |
| rCC |
CH2CHCHO |
Acrolein |
1.479 |
|
| rCC |
CH2CHCH2F |
Allyl Fluoride |
1.480 |
|
| rCC |
C2H5N |
Aziridine |
1.481 |
|
| rCC |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
1.481 |
|
| rCC |
C5H8 |
Spiropentane |
1.482 |
|
| rCC |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
1.482 |
|
| rCC |
C5H10 |
2-Pentene, (E)- |
1.484 |
next to = |
| rCC |
C2H4S |
Thiirane |
1.484 |
|
| rCC |
C(CN)4 |
tetracyanomethane |
1.484 |
|
| rCC |
C4H2O3 |
Maleic Anhydride |
1.485 |
|
| rCC |
CH2CHCH3 |
Propene |
1.488 |
|
| rCC |
CH2CHCH2F |
Allyl Fluoride |
1.488 |
|
| rCC |
C4F6 |
perfluorobutadiene |
1.488 |
|
| rCC |
C12H10 |
biphenyl |
1.489 |
|
| rCC |
C5H10 |
2-Pentene, (Z)- |
1.490 |
end C to C= |
| rCC |
CF3CN |
Acetonitrile, trifluoro- |
1.492 |
|
| rCC |
C2H4F2 |
1,2-difluoroethane |
1.493 |
r0 |
| rCC |
CH2CHCH2CH3 |
1-Butene |
1.493 |
closest to = |
| rCC |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
1.494 |
|
| rCC |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1.494 |
|
| rCC |
HOCH2COOH |
Hydroxyacetic acid |
1.495 |
|
| rCC |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
1.496 |
average |
| rCC |
C4H6 |
Bicyclo[1.1.0]butane |
1.497 |
across ring |
| rCC |
C4H6 |
Bicyclo[1.1.0]butane |
1.498 |
|
| rCC |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1.498 |
|
| rCC |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.498 |
|
| rCC |
CH3CHO |
Acetaldehyde |
1.501 |
|
| rCC |
C3H6 |
Cyclopropane |
1.501 |
re values |
| rCC |
C5H6 |
1-Buten-3-yne, 2-methyl- |
1.501 |
!assumed, C= to CH3 |
| rCC |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
1.501 |
|
| rCC |
CH2FCH2CH3 |
1-Fluoropropane |
1.501 |
|
| rCC |
C2H4F2 |
1,2-difluoroethane |
1.501 |
|
| rCC |
C4H5N |
(E)-2-Butenenitrile |
1.501 |
!assumed, to end |
| rCC |
CHOCHCHCH3 |
2-Butenal |
1.501 |
!assumed, to end |
| rCC |
C4H6O |
Furan, 2,5-dihydro- |
1.502 |
|
| rCC |
C3H6O |
2-Propen-1-ol |
1.502 |
|
| rCC |
C6H10O |
cyclohexanone |
1.503 |
|
| rCC |
C6H6 |
Benzvalene |
1.503 |
|
| rCC |
CH3COF |
Acetyl fluoride |
1.503 |
|
| rCC |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1.503 |
|
| rCC |
C5H6 |
Cyclopropylacetylene |
1.503 |
|
| rCC |
C4H10O2 |
Ethane, 1,2-dimethoxy- |
1.504 |
!assumed |
| rCC |
C5H8O |
Cyclopentanone |
1.504 |
C has =O |
| rCC |
C2H5F |
fluoroethane |
1.505 |
rs |
| rCC |
C4H5NO |
Isoxazole, 5-methyl- |
1.505 |
to methyl |
| rCC |
CH3CHS |
Thioacetaldehyde |
1.506 |
|
| rCC |
CH3CHCHCH3 |
2-Butene, (Z)- |
1.506 |
|
| rCC |
CH3COCl |
Acetyl Chloride |
1.506 |
rg |
| rCC |
CH3COCH2CH3 |
2-Butanone |
1.507 |
|
| rCC |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1.507 |
|
| rCC |
C4H6O2 |
2,3-Butanedione |
1.507 |
|
| rCC |
C5H8 |
Bicyclo[2.1.0]pentane |
1.507 |
tri |
| rCC |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
1.508 |
|
| rCC |
CH3CHCHCH3 |
2-Butene, (E)- |
1.508 |
|
| rCC |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
1.508 |
next to = |
| rCC |
C4H8O2 |
Ethyl acetate |
1.508 |
rg, from =O |
| rCC |
CH3CH2CHO |
Propanal |
1.509 |
C with =O |
| rCC |
CH3CH(NH2)COOH |
Alanine |
1.509 |
to end C |
| rCC |
C5H4O2 |
4-Cyclopentene-1,3-dione |
1.509 |
|
| rCC |
C3H4 |
cyclopropene |
1.509 |
|
| rCC |
CH3CH2Cl |
Ethyl chloride |
1.510 |
|
| rCC |
C6H10 |
cyclohexene |
1.510 |
|
| rCC |
C5H8O |
2H-Pyran, 3,4-dihydro- |
1.510 |
!assumed, C has a = |
| rCC |
C5H8O |
Methyl cyclopropyl ketone |
1.510 |
!average |
| rCC |
C6H8 |
1,4-Cyclohexadiene |
1.511 |
|
| rCC |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
1.511 |
|
| rCC |
C5H8 |
1,4-Pentadiene |
1.511 |
|
| rCC |
C6H12 |
2,3-dimethyl-but-2-ene |
1.511 |
|
| rCC |
C6H12 |
(E)-3-methylpent-2-ene |
1.511 |
average, any C from =C |
| rCC |
C6H12O |
hexanal |
1.511 |
|
| rCC |
CH3CSNH2 |
Ethanethioamide |
1.512 |
|
| rCC |
CH3CH2OH |
Ethanol |
1.512 |
|
| rCC |
C5H8 |
1,3-Butadiene, 2-methyl- |
1.512 |
to methyl C |
| rCC |
CH3COCH2CH3 |
2-Butanone |
1.512 |
cental CC bond |
| rCC |
C6H5CH3 |
toluene |
1.513 |
|
| rCC |
C3F6 |
hexafluoropropene |
1.513 |
|
| rCC |
C3H6O |
Propylene oxide |
1.513 |
out of ring |
| rCC |
C6H10 |
Bicyclo[3.1.0]hexane |
1.513 |
|
| rCC |
C6H10 |
Bicyclo[3.1.0]hexane |
1.513 |
|
| rCC |
C4H5N |
Cyclopropanecarbonitrile |
1.513 |
opp C with extra |
| rCC |
C4H5NO |
3-Methylisoxazole |
1.514 |
from C with -N |
| rCC |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.514 |
from apex |
| rCC |
C5H8 |
1,2-Butadiene, 3-methyl- |
1.514 |
|
| rCC |
C3H8O2 |
1,3-Propanediol |
1.514 |
|
| rCC |
C5H10 |
Cyclopropane, 1,1-dimethyl- |
1.514 |
to C outside ring |
| rCC |
C4H6 |
1-Methylcyclopropene |
1.515 |
!assumed, opp extra C |
| rCC |
CH2CCHCH3 |
1,2-Butadiene |
1.515 |
|
| rCC |
C4H8O2 |
Ethyl acetate |
1.515 |
rg, from O |
| rCC |
C5H8O |
2H-Pyran, 3,4-dihydro- |
1.516 |
C has a -O |
| rCC |
C4H10O |
Methyl propyl ether |
1.516 |
propyl side, near O |
| rCC |
C4H6 |
Cyclobutene |
1.517 |
=C to C |
| rCC |
CH3COOH |
Acetic acid |
1.517 |
|
| rCC |
C4H10O |
Ethoxy ethane |
1.517 |
rs |
| rCC |
C2H5Br |
Ethyl bromide |
1.518 |
|
| rCC |
C5H8 |
Cyclopentene |
1.518 |
one C has = |
| rCC |
C4H6S |
Thiophene, 2,5-dihydro- |
1.518 |
|
| rCC |
C3H4O |
Methylketene |
1.518 |
|
| rCC |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.518 |
from apex |
| rCC |
C4H10O |
Propane, 2-methoxy- |
1.519 |
|
| rCC |
CH3CONH2 |
Acetamide |
1.519 |
|
| rCC |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1.519 |
|
| rCC |
CH3COCH3 |
Acetone |
1.520 |
|
| rCC |
CH3CHSHCH3 |
2-Propanethiol |
1.520 |
!assumed |
| rCC |
C5H10 |
Cyclopropane, 1,1-dimethyl- |
1.520 |
!assumed, ring bonds |
| rCC |
C3H7N |
Cyclopropylamine |
1.520 |
|
| rCC |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
1.521 |
|
| rCC |
CH3CH2O |
Ethoxy radical |
1.521 |
|
| rCC |
C6H8 |
1,3-Cyclohexadiene |
1.521 |
|
| rCC |
CH3OC2H5 |
Ethane, methoxy- |
1.521 |
|
| rCC |
CH3CHFCH3 |
2-Fluoropropane |
1.521 |
|
| rCC |
C2H5I |
Ethyl iodide |
1.521 |
|
| rCC |
CH2ClCHO |
chloroacetaldehyde |
1.521 |
|
| rCC |
CH3CHClCH3 |
Propane, 2-chloro- |
1.522 |
|
| rCC |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
1.522 |
!assumed, to methyl C's |
| rCC |
CHCl2CH2CH3 |
1,1-dichloropropane |
1.522 |
|
| rCC |
C4H8O2 |
1,3-Dioxolane, 2-methyl- |
1.522 |
average |
| rCC |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1.522 |
|
| rCC |
C5H8 |
Ethenylcyclopropane |
1.522 |
average, ring |
| rCC |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
1.522 |
|
| rCC |
C10H10 |
bullvalene |
1.523 |
|
| rCC |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
1.523 |
|
| rCC |
C3H5ClO |
Oxirane, (chloromethyl)- |
1.523 |
|
| rCC |
CH3CH2CHO |
Propanal |
1.523 |
CH3-CH2 |
| rCC |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
1.524 |
|
| rCC |
C6H5CH2CH3 |
Ethylbenzene |
1.524 |
|
| rCC |
C12H8 |
biphenylene |
1.524 |
|
| rCC |
C5H8 |
Cyclobutane, methylene- |
1.524 |
from C with methylene |
| rCC |
C5H10O |
2-Butanone, 3-methyl- |
1.525 |
average, from C with =O |
| rCC |
CH2ClCH2CH3 |
Propane, 1-chloro- |
1.525 |
|
| rCC |
CH2ClCH2CH3 |
Propane, 1-chloro- |
1.525 |
|
| rCC |
CH3CH(CH3)CH3 |
Isobutane |
1.525 |
|
| rCC |
C5H6 |
Propellane |
1.525 |
ax-eq |
| rCC |
C3H8 |
Propane |
1.526 |
|
| rCC |
C2H2O2 |
Ethanedial |
1.526 |
rg values |
| rCC |
C2H5CN |
ethyl cyanide |
1.526 |
|
| rCC |
C4H6O2 |
2,3-Butanedione |
1.527 |
|
| rCC |
C4H6O |
Cyclobutanone |
1.527 |
one carbon is C=O Only RING structure parameters, need O and H ones to complete |
| rCC |
C5H6 |
Cyclopropylacetylene |
1.527 |
|
| rCC |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
1.528 |
!assumed |
| rCC |
C5H10S |
2H-Thiopyran, tetrahydro- |
1.528 |
average |
| rCC |
C2H5NO3 |
Nitric acid, ethyl ester |
1.528 |
|
| rCC |
C4H8O2 |
1,3-Dioxane |
1.528 |
|
| rCC |
C4H10O |
Propane, 2-methoxy- |
1.528 |
|
| rCC |
C5H8 |
Bicyclo[2.1.0]pentane |
1.528 |
from tri |
| rCC |
CH3CH2SH |
ethanethiol |
1.528 |
|
| rCC |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1.528 |
average |
| rCC |
C4H10O |
Ethanol, 1,1-dimethyl- |
1.529 |
|
| rCC |
CH3CH2SH |
ethanethiol |
1.529 |
|
| rCC |
C3H7SH |
1-Propanethiol |
1.529 |
by S |
| rCC |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
1.529 |
|
| rCC |
C6H6 |
Benzvalene |
1.529 |
|
| rCC |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
1.530 |
|
| rCC |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1.530 |
|
| rCC |
C5H6S |
Thiophene, 3-methyl- |
1.530 |
|
| rCC |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
1.530 |
|
| rCC |
C4H10O |
Methyl propyl ether |
1.530 |
propyl side, from end C |
| rCC |
CH2SHCH2SH |
1,2-Ethanedithiol |
1.530 |
|
| rCC |
C6H10 |
Bicyclo[3.1.0]hexane |
1.530 |
|
| rCC |
C2H6O2 |
1,2-Ethanediol |
1.530 |
!assumed |
| rCC |
C6H12 |
Cyclohexane |
1.530 |
|
| rCC |
C5H8O |
2H-Pyran, 3,4-dihydro- |
1.530 |
!assumed |
| rCC |
C6H10 |
cyclohexene |
1.530 |
|
| rCC |
C6H10 |
cyclohexene |
1.530 |
|
| rCC |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
1.530 |
edge of square |
| rCC |
C7H8 |
Norbornadiene |
1.530 |
|
| rCC |
C5H11N |
Piperidine |
1.531 |
|
| rCC |
C5H10O |
2H-Pyran, tetrahydro- |
1.531 |
|
| rCC |
C5H12 |
Pentane |
1.531 |
|
| rCC |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1.531 |
ra |
| rCC |
CH3CH2NH2 |
Ethylamine |
1.531 |
|
| rCC |
CH3COCH2CH3 |
2-Butanone |
1.531 |
ethyl CC |
| rCC |
CH3CH2CH2CH3 |
Butane |
1.531 |
rg |
| rCC |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
1.532 |
average |
| rCC |
C6H12O |
hexanal |
1.532 |
|
| rCC |
H2NCH2COOH |
Glycine |
1.532 |
|
| rCC |
C4H8S |
Thiophene, tetrahydro- |
1.532 |
|
| rCC |
C5H12O |
Butane, 1-methoxy- |
1.532 |
average |
| rCC |
C6H12O |
hexanal |
1.533 |
|
| rCC |
C6H14 |
Hexane |
1.533 |
|
| rCC |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
1.533 |
average |
| rCC |
C7H16 |
heptane |
1.534 |
rg |
| rCC |
C4H9N |
Pyrrolidine |
1.534 |
|
| rCC |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
1.534 |
average |
| rCC |
ClCOClCO |
Oxalyl chloride |
1.534 |
|
| rCC |
CH2FCH2CH3 |
1-Fluoropropane |
1.534 |
|
| rCC |
CH3CH(CH3)ONO |
Isopropyl nitrite |
1.534 |
assumed |
| rCC |
C5H10O |
2-Butanone, 3-methyl- |
1.534 |
average |
| rCC |
C6H5CH2CH3 |
Ethylbenzene |
1.535 |
|
| rCC |
CH2CHCH2CH3 |
1-Butene |
1.536 |
farthest from = |
| rCC |
C2H6 |
Ethane |
1.536 |
|
| rCC |
C5H8 |
Bicyclo[2.1.0]pentane |
1.536 |
to tri |
| rCC |
C4H8O |
Furan, tetrahydro- |
1.536 |
|
| rCC |
C5H9N |
Pentanenitrile |
1.536 |
|
| rCC |
C3H7SH |
1-Propanethiol |
1.536 |
!assumed, other end from S |
| rCC |
C6H8 |
1,3-Cyclohexadiene |
1.536 |
|
| rCC |
C7H12 |
Norbornane |
1.536 |
|
| rCC |
C5H12 |
Propane, 2,2-dimethyl- |
1.537 |
|
| rCC |
C10H16 |
adamantane |
1.540 |
|
| rCC |
C5H6 |
1,3-Cyclopentadiene |
1.540 |
|
| rCC |
C5H8 |
Cyclopentene |
1.540 |
!assumed |
| rCC |
C3H8O2 |
Propylene glycol |
1.540 |
|
| rCC |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
1.540 |
|
| rCC |
C6H10O |
cyclohexanone |
1.542 |
|
| rCC |
C3H6O2 |
1,3-Dioxolane |
1.542 |
|
| rCC |
C10H10 |
bullvalene |
1.542 |
|
| rCC |
C4H6 |
Methylenecyclopropane |
1.542 |
|
| rCC |
C3H6O |
Oxetane |
1.543 |
|
| rCC |
C6H8 |
Bicyclo[2.1.1]hex-2-ene |
1.544 |
average |
| rCC |
CHCCH2CH3 |
1-Butyne |
1.544 |
|
| rCC |
C2H2O4 |
Oxalic Acid |
1.544 |
|
| rCC |
CH3CH(NH2)COOH |
Alanine |
1.544 |
to C with 2O |
| rCC |
C2H8N2 |
Ethylenediamine |
1.545 |
|
| rCC |
C6H10O |
cyclohexanone |
1.545 |
|
| rCC |
CF3COOH |
trifluoroacetic acid |
1.546 |
ra |
| rCC |
C3F8 |
perfluoropropane |
1.546 |
|
| rCC |
C7H12 |
Norbornane |
1.546 |
|
| rCC |
C5H10 |
Cyclopentane |
1.546 |
|
| rCC |
C3H6S |
Thietane |
1.549 |
|
| rCC |
CF3CCl3 |
1,1,1-trifluoro-2,2,2-trichloroethane |
1.549 |
|
| rCC |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1.550 |
|
| rCC |
CH3CHNOH |
Acetaldoxime |
1.550 |
!assumed |
| rCC |
C6H12 |
(E)-3-methylpent-2-ene |
1.551 |
in ethyl |
| rCC |
C5H7N |
Cyclobutanecarbonitrile |
1.551 |
estimated using ab initio difference |
| rCC |
C4H8 |
cyclobutane |
1.555 |
|
| rCC |
C4H6O |
Cyclobutanone |
1.556 |
NO GEOMETRY has been calculated for this molecule |
| rCC |
C7H8 |
Norbornadiene |
1.557 |
|
| rCC |
C5H8O |
Cyclopentanone |
1.557 |
|
| rCC |
C5H8 |
Spiropentane |
1.557 |
|
| rCC |
C5H8 |
Cyclobutane, methylene- |
1.557 |
|
| rCC |
C5H7N |
Cyclobutanecarbonitrile |
1.557 |
|
| rCC |
C5H8 |
Bicyclo[1.1.1]pentane |
1.557 |
|
| rCC |
C2F6 |
hexafluoroethane |
1.560 |
|
| rCC |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
1.560 |
connection to tri |
| rCC |
C4H4N2 |
Succinonitrile |
1.561 |
middle CC bond |
| rCC |
C5H10 |
2-Pentene, (Z)- |
1.561 |
end away from = |
| rCC |
C3H7N |
Azetidine |
1.563 |
|
| rCC |
C5H8 |
Bicyclo[2.1.0]pentane |
1.565 |
edge opp tri |
| rCC |
C4H6 |
Cyclobutene |
1.566 |
|
| rCC |
C8H8 |
cubane |
1.571 |
|
| rCC |
C7H12 |
Norbornane |
1.573 |
|
| rCC |
C3H4O |
Cyclopropanone |
1.575 |
opposite =C |
| rCC |
C5H10 |
2-Pentene, (E)- |
1.576 |
end C |
| rCC |
CH2ClCHCl2 |
1,1,2-trichloroethane |
1.580 |
!assumed |
| rCC |
C6H12O |
hexanal |
1.596 |
|
| rCC |
C5H6 |
Propellane |
1.596 |
ax-ax |
| |
| Average |
1.508 |
±0.039 |
| Min |
1.370 |
| Max |
1.596 |
