Geometry & MOs

Info

ID:	171330
PubChem CID:	75360480
Reduced:	FNO2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	279.127072
ΔH_f, kcal/mol:	-250.35
Dipole, Da:	5.47
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1CCC2(CC1)N(C(CO2)C(=O)O)C(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations