Geometry & MOs

Info

ID:	140341
PubChem CID:	52685329
Reduced:	N2O2C24H33 (1)
Stoich.:	A2B2C24D33 (1)
Weight, g/mol:	380.246378
ΔH_f, kcal/mol:	-55.46
Dipole, Da:	7.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008672
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3-(2-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCC3=CC=CC=C3O)C

DOS

IR

Vibrations