CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-219.96	1.13	kJ mol^-1	webbook
Hfg(0K)		1.13	kJ mol^-1	webbook
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1
Heat Capacity (298.15K)	107.20		J K^-1 mol^-1	TRC

Bond Type	Count
H-C	6
H-N	2
C-N	4
C=O	1

Atom 1	Atom 2
H1	N6
O2	C3
C3	N4
C3	N6
N4	C10
N4	C14
H5	N6
H7	C10
H8	C10
H9	C10
H11	C14
H12	C14
H13	C14

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A	C₁	True							C₁	3	5

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A	C₁	True						C₁	3	5

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Atom 1	Atom 2
H1	N6
O2	C3
C3	N4
C3	N6
N4	C10
N4	C14
H5	N6
H7	C10
H8	C10
H9	C10
H11	C14
H12	C14
H13	C14

squib	reference	DOI
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
H1	N6
O2	C3
C3	N4
C3	N6
N4	C10
N4	C14
H5	N6
H7	C10
H8	C10
H9	C10
H11	C14
H12	C14
H13	C14

Experimental data for N(CH3)2CONH2 (Urea, N,N-dimethyl-)

Experimental data for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)

Atom 1	Atom 2
H1	N6
O2	C3
C3	N4
C3	N6
N4	C10
N4	C14
H5	N6
H7	C10
H8	C10
H9	C10
H11	C14
H12	C14
H13	C14