Geometry & MOs

Info

ID:	403757
PubChem CID:	135061676
Reduced:	ClOH15C20 (1)
Stoich.:	ABC15D20 (1)
Weight, g/mol:	366.116682
ΔH_f, kcal/mol:	42.87
Dipole, Da:	4.54
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)Cl)/OC3=CC=CC=C3

DOS

IR

Vibrations