Geometry & MOs

Info

ID:	294277
PubChem CID:	117448790
Reduced:	ClO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	279.077454
ΔH_f, kcal/mol:	-17.54
Dipole, Da:	2.43
IP(EA), eV:	-8.27(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC(=C3C(=C2Cl)CCO3)OC)N

DOS

IR

Vibrations