Geometry & MOs

Info

ID:	247982
PubChem CID:	103077938
Reduced:	OF3N4C11H11 (1)
Stoich.:	AB3C4D11E11 (1)
Weight, g/mol:	272.088495
ΔH_f, kcal/mol:	-131.31
Dipole, Da:	7.49
IP(EA), eV:	-8.13(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[2-(trifluoromethoxy)phenyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations