Geometry & MOs

Info

ID:	375213
PubChem CID:	131472884
Reduced:	FNO4H8C10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	225.043736
ΔH_f, kcal/mol:	-103.42
Dipole, Da:	2.71
IP(EA), eV:	-10.62(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-5-methyl-4-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations