Geometry & MOs

Info

ID:	375214
PubChem CID:	131472885
Reduced:	FNO4H8C10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	225.043736
ΔH_f, kcal/mol:	-105.24
Dipole, Da:	1.41
IP(EA), eV:	-10.73(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-6-methyl-4-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations