Geometry & MOs

Info

ID:	293358
PubChem CID:	117385344
Reduced:	OF2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	253.102668
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	1.58
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(difluoromethyl)-2-methoxyphenyl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C(C(=C(C=C2)COC)F)F)N

DOS

IR

Vibrations