Geometry & MOs

Info

ID:	253197
PubChem CID:	103116741
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	281.061197
ΔH_f, kcal/mol:	-84.58
Dipole, Da:	1.49
IP(EA), eV:	-9.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-difluoro-2-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC(C)C(=O)O)C(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations