Geometry & MOs

Info

ID:	248038
PubChem CID:	103078436
Reduced:	F3N4H9C10 (1)
Stoich.:	A3B4C9D10 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-65.58
Dipole, Da:	6.05
IP(EA), eV:	-8.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC(=C(C(=C2)F)F)F)N

DOS

IR

Vibrations