Geometry & MOs

Info

ID:	175711
PubChem CID:	75940083
Reduced:	ClFNOC19H19 (1)
Stoich.:	ABCDE19F19 (1)
Weight, g/mol:	329.184073
ΔH_f, kcal/mol:	-73.2
Dipole, Da:	4.74
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1-propan-2-ylpiperidin-1-ium-3-yl)methyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1(CCC(C2=CC=CC=C21)NC(=O)C3=C(C=CC=C3Cl)F)C

DOS

IR

Vibrations