Geometry & MOs

Info

ID:	419172
PubChem CID:	135107673
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-168.95
Dipole, Da:	5.52
IP(EA), eV:	-8.17(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)CN2CCC[C@]3(C2)CCC[C@H]3O)OC

DOS

IR

Vibrations