Geometry & MOs

Info

ID:	302946
PubChem CID:	124403813
Reduced:	ON2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	424.272593
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	4.26
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN3CCC[C@@H](C3)C

DOS

IR

Vibrations