Geometry & MOs

Info

ID:	137831
PubChem CID:	52269366
Reduced:	ON3C24H35 (1)
Stoich.:	AB3C24D35 (1)
Weight, g/mol:	379.262363
ΔH_f, kcal/mol:	-6.46
Dipole, Da:	4.65
IP(EA), eV:	-8.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C[NH2+]CC3=CC=C(C=C3)NC(=O)C)C

DOS

IR

Vibrations