Geometry & MOs

Info

ID:	247981
PubChem CID:	103077913
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	272.088495
ΔH_f, kcal/mol:	66.3
Dipole, Da:	4.74
IP(EA), eV:	-7.81(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC=C(C=C2)OC3=CC=CC=C3)N

DOS

IR

Vibrations