Geometry & MOs

Info

ID:	422421
PubChem CID:	135117809
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	359.134443
ΔH_f, kcal/mol:	6.42
Dipole, Da:	1.12
IP(EA), eV:	-8.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-4-propyl-1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NCCC3=NC=CS3

DOS

IR

Vibrations