Geometry & MOs

Info

ID:	22056
PubChem CID:	595912
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-101.34
Dipole, Da:	4.75
IP(EA), eV:	-9.61(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,6,6-trimethyl-7-oxospiro[2.5]oct-1-en-8-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC12CCC(C(=O)C2CC(=O)OC)(C)C

DOS

IR

Vibrations