Geometry & MOs

Info

ID:	248128
PubChem CID:	103079111
Reduced:	ION3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	57.7
Dipole, Da:	5.22
IP(EA), eV:	-8.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3,5-dimethylphenoxy)-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC2=CC(=CC=C2)I)N

DOS

IR

Vibrations