Geometry & MOs

Info

ID:	387011
PubChem CID:	134983670
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	268.128572
ΔH_f, kcal/mol:	-190.2
Dipole, Da:	3.46
IP(EA), eV:	-9.57(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-7-methylsulfanyl-1-phenyl-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C1O)C=CC(=C2)C)C(=O)OCC

DOS

IR

Vibrations