Geometry & MOs

Info

ID:	302160
PubChem CID:	124349734
Reduced:	FO3N4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	-133.89
Dipole, Da:	6.76
IP(EA), eV:	-8.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-phenylpiperidin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1CN(CC[C@]1(C2=CC=C(C=C2)F)O)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations