Geometry & MOs

Info

ID:	5904
PubChem CID:	13999
Reduced:	ClO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	383.140055
ΔH_f, kcal/mol:	-18.0
Dipole, Da:	3.33
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(2-morpholin-4-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1COCCN1CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations