Geometry & MOs

Info

ID:	22088
PubChem CID:	595967
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-156.65
Dipole, Da:	3.97
IP(EA), eV:	-9.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4,4-dimethyl-3-oxo-2,5,6,7-tetrahydro-1H-inden-2-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CC2=C(C1=O)C(CCC2)(C)C

DOS

IR

Vibrations