Geometry & MOs

Info

ID:	20997
PubChem CID:	586677
Reduced:	N3O3C8H9 (1)
Stoich.:	A3B3C8D9 (1)
Weight, g/mol:	195.064391
ΔH_f, kcal/mol:	-28.04
Dipole, Da:	9.47
IP(EA), eV:	-9.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations