Geometry & MOs

Info

ID:	342634
PubChem CID:	127265794
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	3.43
IP(EA), eV:	-9.15(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-6-[2-[6-[ethyl(methyl)amino]pyridin-3-yl]ethenyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCS(=O)(=O)CCCC#N

DOS

IR

Vibrations