Geometry & MOs

Info

ID:	422236
PubChem CID:	135117468
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	3.05
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2-fluoro-6-methylbenzoyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)CN(C)CC(=O)NCC3=CC=CC=C3OC

DOS

IR

Vibrations