Geometry & MOs

Info

ID:	51035
PubChem CID:	12013650
Reduced:	SO2C21H32 (1)
Stoich.:	AB2C21D32 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	2.94
IP(EA), eV:	-8.31(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-(piperidin-1-ylmethyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CCCCCC/C=C(/OCCCCCC1)\S(=O)C2=CC=CC=C2

DOS

IR

Vibrations