Geometry & MOs

Info

ID:	21335
PubChem CID:	587954
Reduced:	O3N5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	237.086189
ΔH_f, kcal/mol:	-26.75
Dipole, Da:	10.83
IP(EA), eV:	-9.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diaminomethylidene)-3-(3-methyl-4-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)N=C(N)N)[N+](=O)[O-]

DOS

IR

Vibrations