Geometry & MOs

Info

ID:	80784
PubChem CID:	49836696
Reduced:	O5C12H14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-196.74
Dipole, Da:	6.1
IP(EA), eV:	-10.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)sulfonyl-6-piperazin-1-yl-2H-indazole

Drug info:

PubChemData

Smile

COC(=O)C1C(CCCC1=O)C2C=CC(=O)O2

DOS

IR

Vibrations