Geometry & MOs

Info

ID:	302948
PubChem CID:	124403831
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	364.251464
ΔH_f, kcal/mol:	-151.92
Dipole, Da:	7.39
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations