Geometry & MOs

Info

ID:	183917
PubChem CID:	77089399
Reduced:	F3N3C14H16 (1)
Stoich.:	A3B3C14D16 (1)
Weight, g/mol:	383.218447
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	2.64
IP(EA), eV:	-8.89(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpiperidin-2-yl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)CN(C)CC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations