Geometry & MOs

Info

ID:	419385
PubChem CID:	135108102
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	6.31
IP(EA), eV:	-8.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=C(C2=CC=CC=C2C=C1)CN3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations