Geometry & MOs

Info

ID:	182912
PubChem CID:	76954214
Reduced:	N3O5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	291.127072
ΔH_f, kcal/mol:	-229.64
Dipole, Da:	7.32
IP(EA), eV:	-10.01(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(2-fluorophenyl)prop-2-enoyl]piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CC(=O)NC(=O)N2)CC(=O)O

DOS

IR

Vibrations