Geometry & MOs

Info

ID:	169301
PubChem CID:	75086314
Reduced:	NO7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	558.0764
ΔH_f, kcal/mol:	-226.31
Dipole, Da:	2.23
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methoxyphenyl)-3-oxo-3-[2-(2-pyridin-1-ium-1-ylacetyl)hydrazinyl]prop-1-en-2-yl]benzamide;iodide

Drug info:

PubChemData

Smile

CCOC(=O)OC1=C(C=C(C=C1)C=CCONCC(=O)OC)OC

DOS

IR

Vibrations