Geometry & MOs

Info

ID:	386950
PubChem CID:	134983479
Reduced:	ClOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	270.107836
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	5.0
IP(EA), eV:	-9.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-7-methylsulfanyl-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations