Geometry & MOs

Info

ID:	194844
PubChem CID:	78597401
Reduced:	N4H21C23 (1)
Stoich.:	A4B21C23 (1)
Weight, g/mol:	404.05243
ΔH_f, kcal/mol:	119.14
Dipole, Da:	1.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.401500
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-bromophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone

Drug info:

PubChemData

Smile

C1C[NH+]2C(C3=CC=CC=C3NC2C4=CN=CC=C4)C5=C1C6=CC=CC=C6N5

DOS

IR

Vibrations