Geometry & MOs

Info

ID:	420073
PubChem CID:	135110998
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	2.9
IP(EA), eV:	-9.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-cyclohexyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations