Geometry & MOs

Info

ID:	371955
PubChem CID:	131282509
Reduced:	FN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	182.037922
ΔH_f, kcal/mol:	-42.57
Dipole, Da:	6.34
IP(EA), eV:	-9.79(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-fluorophenyl)-2-hydroxyprop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=C(C(=CC=C1)[N+](=O)[O-])F)N

DOS

IR

Vibrations