Geometry & MOs

Info

ID:	73430
PubChem CID:	48417678
Reduced:	ON2F5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	406.186813
ΔH_f, kcal/mol:	-252.65
Dipole, Da:	7.15
IP(EA), eV:	-9.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxyphenyl)-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations