Geometry & MOs

Info

ID:	292816
PubChem CID:	117359334
Reduced:	FNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	243.092024
ΔH_f, kcal/mol:	-190.78
Dipole, Da:	4.15
IP(EA), eV:	-9.56(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoro-4-pyrazol-1-ylphenyl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

COCC1=C(C(=CC(=C1)F)OC)C(C(=O)O)N

DOS

IR

Vibrations