Geometry & MOs

Info

ID:	468
PubChem CID:	2802
Reduced:	ClN3O3H10C15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	315.041069
ΔH_f, kcal/mol:	16.07
Dipole, Da:	1.23
IP(EA), eV:	-9.92(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

DOS

IR

Vibrations