Geometry & MOs

Info

ID:	341827
PubChem CID:	127264520
Reduced:	NO2H3F4C7 (1)
Stoich.:	AB2C3D4E7 (1)
Weight, g/mol:	179.038257
ΔH_f, kcal/mol:	-249.02
Dipole, Da:	5.79
IP(EA), eV:	-11.39(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-2-fluoro-4-hydroxybenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1C(F)(F)F)C(=O)O)F

DOS

IR

Vibrations