Geometry & MOs

Info

ID:	22087
PubChem CID:	595966
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-148.6
Dipole, Da:	4.1
IP(EA), eV:	-9.82(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCC2=C1C(=O)C(C2)CC(=O)OC)C

DOS

IR

Vibrations