Geometry & MOs

Info

ID:	216886
PubChem CID:	85086928
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-100.5
Dipole, Da:	1.98
IP(EA), eV:	-8.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl) 2,4,6-trimethylbenzoate

Drug info:

PubChemData

Smile

CCC=CCCOC(=O)C(C)C1=CC2=C(C=C1)C=C(C=C2)OC

DOS

IR

Vibrations