Geometry & MOs

Info

ID:	293354
PubChem CID:	117385306
Reduced:	FNSO3H8C11 (1)
Stoich.:	ABCD3E8F11 (1)
Weight, g/mol:	253.102668
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	6.35
IP(EA), eV:	-8.96(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)C2=NOC(=C2)C(=O)O)F

DOS

IR

Vibrations