Geometry & MOs

Info

ID:	44594
PubChem CID:	10504271
Reduced:	ON2C31H46 (1)
Stoich.:	AB2C31D46 (1)
Weight, g/mol:	462.17102
ΔH_f, kcal/mol:	7.25
Dipole, Da:	2.45
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-[4-(6-chlorohexoxy)phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CCCCCCCCC12CC(C1)(C2)C3=CC=C(C=C3)C4=CN=C(N=C4)OCCCCCCCC

DOS

IR

Vibrations