Geometry & MOs

Info

ID:	403857
PubChem CID:	135062209
Reduced:	ON2H24C29 (1)
Stoich.:	AB2C24D29 (1)
Weight, g/mol:	366.116682
ΔH_f, kcal/mol:	136.19
Dipole, Da:	4.44
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C(C#CC2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations