Geometry & MOs

Info

ID:	157882
PubChem CID:	56437670
Reduced:	ON3F4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	403.082988
ΔH_f, kcal/mol:	-169.32
Dipole, Da:	5.03
IP(EA), eV:	-8.97(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dichlorophenyl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCC1NCC2=CC=C(O2)C3=CC=C(C=C3)F)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations