Geometry & MOs

Info

ID:	9792
PubChem CID:	93364
Reduced:	ClN3O3H12C16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	329.056719
ΔH_f, kcal/mol:	11.1
Dipole, Da:	1.88
IP(EA), eV:	-9.9(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

DOS

IR

Vibrations