Geometry & MOs

Info

ID:	432781
PubChem CID:	135172918
Reduced:	ON4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	395.219549
ΔH_f, kcal/mol:	77.28
Dipole, Da:	4.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.479558
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]-N-(2-hydroxyethyl)anilino]ethanol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[N+](=C1N/N=C/3\C(=O)C=CC4=CC=CC=C43)C

DOS

IR

Vibrations