Geometry & MOs

Info

ID:	202676
PubChem CID:	79709323
Reduced:	FO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	263.132157
ΔH_f, kcal/mol:	-186.09
Dipole, Da:	6.96
IP(EA), eV:	-9.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC(OC1)COCC2=CC(=CC(=C2)F)C=CC(=O)O

DOS

IR

Vibrations