Geometry & MOs

Info

ID:	422036
PubChem CID:	135117049
Reduced:	FNO4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-199.11
Dipole, Da:	2.72
IP(EA), eV:	-9.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-[3-(methylcarbamoyl)pyridin-2-yl]-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O)F

DOS

IR

Vibrations