Geometry & MOs

Info

ID:	294065
PubChem CID:	117426187
Reduced:	FNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	269.063426
ΔH_f, kcal/mol:	-186.64
Dipole, Da:	4.14
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoro-2-methylsulfonylphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2CC(CN2)C(=O)O)OC)F

DOS

IR

Vibrations