Geometry & MOs

Info

ID:	247984
PubChem CID:	103077945
Reduced:	ClF3N4H10C11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	314.00284
ΔH_f, kcal/mol:	-95.8
Dipole, Da:	5.5
IP(EA), eV:	-8.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-iodophenyl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations