Geometry & MOs

Info

ID:	1508
PubChem CID:	4616
Reduced:	ClN2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	286.050905
ΔH_f, kcal/mol:	-19.4
Dipole, Da:	4.37
IP(EA), eV:	-9.49(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-hydroxy-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)O

DOS

IR

Vibrations