Geometry & MOs

Info

ID:	25567
PubChem CID:	626461
Reduced:	O3C20H22 (1)
Stoich.:	A3B20C22 (1)
Weight, g/mol:	324.066555
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	5.91
IP(EA), eV:	-8.87(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-hydroxy-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)OC(=O)CC2C3=CC=C(C=C3)OC

DOS

IR

Vibrations