Geometry & MOs

Info

ID:	5965
PubChem CID:	14194
Reduced:	ClON3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	355.14514
ΔH_f, kcal/mol:	17.13
Dipole, Da:	3.89
IP(EA), eV:	-8.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-[3-(dimethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CN(C)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations