Geometry & MOs

Info

ID:	562
PubChem CID:	2997
Reduced:	ClON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	270.055991
ΔH_f, kcal/mol:	21.11
Dipole, Da:	3.27
IP(EA), eV:	-9.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

DOS

IR

Vibrations