Geometry & MOs

Info

ID:	378431
PubChem CID:	134224512
Reduced:	O2H4C5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	176.047344
ΔH_f, kcal/mol:	5.81
Dipole, Da:	4.55
IP(EA), eV:	-9.46(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-5-one

Drug info:

PubChemData

Smile

CCCOC1=C2C=C3C(=C1OC3=O)O2

DOS

IR

Vibrations