Geometry & MOs

Info

ID:	1457
PubChem CID:	4496
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	295.095691
ΔH_f, kcal/mol:	27.21
Dipole, Da:	2.36
IP(EA), eV:	-9.81(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations