Geometry & MOs

Info

ID:	5903
PubChem CID:	13995
Reduced:	ClON3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	367.14514
ΔH_f, kcal/mol:	17.69
Dipole, Da:	2.58
IP(EA), eV:	-9.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations