Geometry & MOs

Info

ID:	88676
PubChem CID:	49956052
Reduced:	Cl2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	497.059036
ΔH_f, kcal/mol:	210.48
Dipole, Da:	9.21
IP(EA), eV:	-8.23(-7.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(4-chlorobenzoyl)-6-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one;chloride

Drug info:

PubChemData

Smile

CN1C=CC=C1CNCCC2=CNC3=CC=CC=C32.[Cl-].[Cl-]

DOS

IR

Vibrations