Geometry & MOs

Info

ID:	18360
PubChem CID:	539813
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	5.18
IP(EA), eV:	-9.73(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CCCC2C1(OC(=O)C2)C

DOS

IR

Vibrations