Geometry & MOs

Info

ID:	220764
PubChem CID:	85239030
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	1.32
IP(EA), eV:	-9.28(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-3-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CC1=C(CCCC1O)C=CC(=CCO)C

DOS

IR

Vibrations