Geometry & MOs

Info

ID:	20852
PubChem CID:	586151
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-87.03
Dipole, Da:	5.67
IP(EA), eV:	-10.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a,7a-dimethyl-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CC12CCCCC1(OC(=O)C2=C)C

DOS

IR

Vibrations