Geometry & MOs

Info

ID:	247983
PubChem CID:	103077940
Reduced:	OF3N4C11H11 (1)
Stoich.:	AB3C4D11E11 (1)
Weight, g/mol:	290.054608
ΔH_f, kcal/mol:	-130.06
Dipole, Da:	5.43
IP(EA), eV:	-8.09(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC=CC=C2OC(F)(F)F)N

DOS

IR

Vibrations