Geometry & MOs

Info

ID:	403858
PubChem CID:	135062210
Reduced:	ON2F6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	367.124507
ΔH_f, kcal/mol:	-323.56
Dipole, Da:	9.98
IP(EA), eV:	-9.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(6-ethyl-2,3,4,5-tetrahydropyridin-1-ium-1-yl)-3,5-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCC1=[N+](CCCC1)/N=C(/C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)\[O-]

DOS

IR

Vibrations