Geometry & MOs

Info

ID:	432780
PubChem CID:	135172917
Reduced:	NC4H5 (5)
Stoich.:	AB4C5 (5)
Weight, g/mol:	317.140236
ΔH_f, kcal/mol:	119.09
Dipole, Da:	1.85
IP(EA), eV:	-8.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z)-1-[(1,3-dimethylbenzimidazol-3-ium-2-yl)hydrazinylidene]naphthalen-2-one

Drug info:

PubChemData

Smile

CN/C=C\N(C)C(=C)N=NC1=CC=C(C2=CC=CC=C21)N3CCCC3

DOS

IR

Vibrations