Geometry & MOs

Info

ID:	134069
PubChem CID:	51636403
Reduced:	F3N3C19H32 (1)
Stoich.:	A3B3C19D32 (1)
Weight, g/mol:	416.247521
ΔH_f, kcal/mol:	-121.08
Dipole, Da:	14.0
IP(EA), eV:	-6.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine

Drug info:

PubChemData

Smile

C[NH+](C)CCCN(C)[C@@H]1CCC[NH+](C1)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations