Geometry & MOs

Info

ID:	392983
PubChem CID:	135018767
Reduced:	OC19H22 (1)
Stoich.:	AB19C22 (1)
Weight, g/mol:	366.183109
ΔH_f, kcal/mol:	22.27
Dipole, Da:	1.04
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4,7-dimethyl-5-phenyl-1,3-dihydroindene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CO[C@@H]1CCCC[C@]12CCC=C2C#CC3=CC=CC=C3

DOS

IR

Vibrations