Geometry & MOs

Info

ID:	419797
PubChem CID:	135109070
Reduced:	FN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	363.145756
ΔH_f, kcal/mol:	-192.2
Dipole, Da:	5.61
IP(EA), eV:	-9.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CCNC1=NOC(=C1C(=O)O)C2=CC(=C(C=C2)F)OC)OC

DOS

IR

Vibrations