Geometry & MOs

Info

ID:	386980
PubChem CID:	134983583
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	282.144222
ΔH_f, kcal/mol:	-107.66
Dipole, Da:	2.77
IP(EA), eV:	-8.63(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-1-(4-methylphenyl)-7-methylsulfanyl-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CC(=O)C3=CC(=C(C=C23)OC)OC

DOS

IR

Vibrations