Geometry & MOs

Info

ID:	143659
PubChem CID:	53245088
Reduced:	O2F3N4C27H29 (1)
Stoich.:	A2B3C4D27E29 (1)
Weight, g/mol:	398.235814
ΔH_f, kcal/mol:	-161.28
Dipole, Da:	9.17
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3,4-dimethyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CN([C@@H](CN1C2=NC=C(C=C2)C(F)(F)F)C)CC(=O)N3CCC(=CC3)C4=CC=CC5=C4OC=C5

DOS

IR

Vibrations