Geometry & MOs

Info

ID:	5549
PubChem CID:	13314
Reduced:	ClNOH6C8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	334.027583
ΔH_f, kcal/mol:	-26.29
Dipole, Da:	4.07
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl

DOS

IR

Vibrations