Geometry & MOs

Info

ID:	9862
PubChem CID:	94022
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	-57.57
Dipole, Da:	7.9
IP(EA), eV:	-8.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

Drug info:

PubChemData

Smile

C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1

DOS

IR

Vibrations