Geometry & MOs

Info

ID:	414568
PubChem CID:	135087527
Reduced:	ClNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-142.08
Dipole, Da:	6.69
IP(EA), eV:	-9.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexanecarbonyl]piperidin-4-yl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations