Geometry & MOs

Info

ID:	145409
PubChem CID:	53518754
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	4.79
IP(EA), eV:	-9.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(4-methylsulfonylphenyl)-4,5,6,7-tetrahydroindazole

Drug info:

PubChemData

Smile

CN(CCN1CCOC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations