Geometry & MOs

Info

ID:	419634
PubChem CID:	135108569
Reduced:	O3N5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	436.272593
ΔH_f, kcal/mol:	-121.66
Dipole, Da:	4.04
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCC1)CC2=CNC3=CC=CC=C32)C

DOS

IR

Vibrations