Geometry & MOs

Info

ID:	421021
PubChem CID:	135115247
Reduced:	NOC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	361.188923
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	2.88
IP(EA), eV:	-8.5(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-(4-hydroxycyclohexanecarbonyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations