Geometry & MOs

Info

ID:	293344
PubChem CID:	117385107
Reduced:	FNO5H8C11 (1)
Stoich.:	ABC5D8E11 (1)
Weight, g/mol:	253.066283
ΔH_f, kcal/mol:	-156.96
Dipole, Da:	6.99
IP(EA), eV:	-9.3(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorobenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1F)C2=CC(=NO2)C(=O)O)O

DOS

IR

Vibrations