Geometry & MOs

Info

ID:	220237
PubChem CID:	85176969
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	2.88
IP(EA), eV:	-9.04(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxatetracyclo[9.2.2.02,10.04,8]pentadeca-2,9,12-triene-5,7-dione

Drug info:

PubChemData

Smile

CCCC1CCCC(N1)C(=O)OC(C)(C)C

DOS

IR

Vibrations