Geometry & MOs

Info

ID:	7835
PubChem CID:	74317
Reduced:	OC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	162.06808
ΔH_f, kcal/mol:	-67.29
Dipole, Da:	5.65
IP(EA), eV:	-10.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=O)O1)C

DOS

IR

Vibrations