Geometry & MOs

Info

ID:	420098
PubChem CID:	135111120
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-110.61
Dipole, Da:	7.48
IP(EA), eV:	-9.17(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[(3-methylphenyl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2CN(C2)C(=O)[C@H]3CCCC[C@H]3C(=O)N4CCCC4

DOS

IR

Vibrations