Geometry & MOs

Info

ID:	3325
PubChem CID:	9507
Reduced:	N6O6H18C19 (1)
Stoich.:	A6B6C18D19 (1)
Weight, g/mol:	426.128782
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	11.83
IP(EA), eV:	-9.61(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations