Geometry & MOs

Info

ID:	248136
PubChem CID:	103079209
Reduced:	OF3N3C8H12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-165.68
Dipole, Da:	5.05
IP(EA), eV:	-8.23(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3,4,5-trimethoxyphenoxy)pyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OCCCC(F)(F)F)N

DOS

IR

Vibrations