Geometry & MOs

Info

ID:	3652
PubChem CID:	9916
Reduced:	OCl2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	335.059217
ΔH_f, kcal/mol:	61.04
Dipole, Da:	4.23
IP(EA), eV:	-9.34(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;hydrochloride

Drug info:

PubChemData

Smile

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.Cl

DOS

IR

Vibrations