Geometry & MOs

Info

ID:	346825
PubChem CID:	127271329
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	49.97
Dipole, Da:	3.97
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-4-yl)-5-methyl-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCCC(C3)C4=NN=C5N4CCC5)NN=C2

DOS

IR

Vibrations