Geometry & MOs

Info

ID:	20197
PubChem CID:	582657
Reduced:	ClON3H18C24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	399.11384
ΔH_f, kcal/mol:	59.4
Dipole, Da:	3.2
IP(EA), eV:	-8.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations