Geometry & MOs

Info

ID:	416005
PubChem CID:	135089010
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	2.58
Dipole, Da:	4.41
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-chloro-2-methylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations