Geometry & MOs

Info

ID:	248127
PubChem CID:	103079101
Reduced:	ON3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	314.98686
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	2.16
IP(EA), eV:	-8.15(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-iodophenoxy)-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CCCCCCOC1=NN(C=C1N)C

DOS

IR

Vibrations