Geometry & MOs

Info

ID:	293345
PubChem CID:	117385175
Reduced:	F2O2N3H9C11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	253.066283
ΔH_f, kcal/mol:	-109.62
Dipole, Da:	4.11
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-1-methylpyrazol-3-yl)-2,6-difluorobenzoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC(=C(C=C2F)F)C(=O)O)N

DOS

IR

Vibrations