Geometry & MOs

Info

ID:	378429
PubChem CID:	134224510
Reduced:	O5H8C11 (1)
Stoich.:	A5B8C11 (1)
Weight, g/mol:	122.073165
ΔH_f, kcal/mol:	-38.06
Dipole, Da:	5.14
IP(EA), eV:	-9.55(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-7-oxabicyclo[2.2.1]hepta-1,3-diene

Drug info:

PubChemData

Smile

CCCC(=O)OC1=C2C=C3C(=C1OC3=O)O2

DOS

IR

Vibrations