Geometry & MOs

Info

ID:

189930

PubChem CID:

77924648

Reduced:

N3O4C19H20 (1)

Stoich.:

A3B4C19D20 (1)

Weight, g/mol:

324.20893

ΔHf, kcal/mol:

-98.81

Dipole, Da:

9.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.836286

Charge, e:

 0

Chem-info

IUPAC name:

7'-methylspiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-14'-one

Drug info:

PubChemData

Smile

CC1(COCC2=[N+]1C(=C3C2=NC(=O)N(C3=O)C)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations