Geometry & MOs

Info

ID:	43291
PubChem CID:	10320790
Reduced:	ON7C24H33 (1)
Stoich.:	AB7C24D33 (1)
Weight, g/mol:	436.02594
ΔH_f, kcal/mol:	25.9
Dipole, Da:	2.75
IP(EA), eV:	-8.52(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(trifluoromethyl)-N-(1,4,6-trimethylpyridin-1-ium-2-yl)benzamide;iodide

Drug info:

PubChemData

Smile

CC(=CCN1C2=C(N=C(N(C2=O)C)NCCC3=CC=CC=C3)N=C1N4CCCC(C4)N)C

DOS

IR

Vibrations