Geometry & MOs

Info

ID:	17786
PubChem CID:	519245
Reduced:	ClON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	270.055991
ΔH_f, kcal/mol:	73.45
Dipole, Da:	2.43
IP(EA), eV:	-8.97(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium

Drug info:

PubChemData

Smile

C1C=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3

DOS

IR

Vibrations