Geometry & MOs

Info

ID:	169302
PubChem CID:	75086722
Reduced:	IN4O4H23C24 (1)
Stoich.:	AB4C4D23E24 (1)
Weight, g/mol:	616.04866
ΔH_f, kcal/mol:	-29.18
Dipole, Da:	13.19
IP(EA), eV:	-8.08(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-3-(3-oxo-2H-quinoxalin-2-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]propanamide;iodide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=C(C(=O)NNC(=O)C[N+]2=CC=CC=C2)NC(=O)C3=CC=CC=C3.[I-]

DOS

IR

Vibrations