Geometry & MOs

Info

ID:	375212
PubChem CID:	131472879
Reduced:	ClFNO3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	225.043736
ΔH_f, kcal/mol:	-77.84
Dipole, Da:	6.25
IP(EA), eV:	-10.6(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-methyl-3-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)CCl)F)[N+](=O)[O-]

DOS

IR

Vibrations