Geometry & MOs

Info

ID:	222496
PubChem CID:	85300922
Reduced:	SO3C20H24 (1)
Stoich.:	AB3C20D24 (1)
Weight, g/mol:	344.225249
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	6.17
IP(EA), eV:	-8.51(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole

Drug info:

PubChemData

Smile

C1C(C1(CC2=CC=CC=C2)S(=O)C3=CC=CC=C3)CCC(CO)O

DOS

IR

Vibrations