Geometry & MOs

Info

ID:	207199
PubChem CID:	80360279
Reduced:	OCl2N4H8C10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	13.33
Dipole, Da:	3.72
IP(EA), eV:	-9.22(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-methylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)C(=O)NC2=C(C=NN2)N

DOS

IR

Vibrations