Geometry & MOs

Info

ID:	202674
PubChem CID:	79709216
Reduced:	BrFN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	272.084872
ΔH_f, kcal/mol:	12.02
Dipole, Da:	1.9
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-5-(phenoxymethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CNC(CC1=CC(=CC(=C1)Br)F)C2=CN(N=C2)C

DOS

IR

Vibrations