Geometry & MOs

Info

ID:	375208
PubChem CID:	131472860
Reduced:	NF3O3H6C8 (1)
Stoich.:	AB3C3D6E8 (1)
Weight, g/mol:	229.038651
ΔH_f, kcal/mol:	-259.71
Dipole, Da:	1.97
IP(EA), eV:	-9.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-3-methyl-6-nitrophenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=C(NC=C(C1=O)CC(=O)O)C(F)(F)F

DOS

IR

Vibrations