Geometry & MOs

Info

ID:	432787
PubChem CID:	135172924
Reduced:	N3O7C31H31 (1)
Stoich.:	A3B7C31D31 (1)
Weight, g/mol:	371.162034
ΔH_f, kcal/mol:	-182.93
Dipole, Da:	11.17
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z)-1-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-one

Drug info:

PubChemData

Smile

CN(CCN1C2=CC=CC=C2C3(C1=O)CC(=C)C(=O)O3)CCOCCN4C5=CC=CC=C5C6(C4=O)CC(=C)C(=O)O6

DOS

IR

Vibrations