Geometry & MOs

Info

ID:

410055

PubChem CID:

135082844

Reduced:

N2O4H21C30 (2)

Stoich.:

A2B4C21D30 (2)

Weight, g/mol:

193.052764

ΔHf, kcal/mol:

152.83

Dipole, Da:

15.48

IP(EA), eV:

 -8.32(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-azatetracyclo[9.2.1.04,13.07,12]tetradeca-1,3,5,7(12),8,11(14)-hexaen-10-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C=C1)C3=NC2=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC(=C3C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=C4C=CC(=C1C(=O)OC)C(=O)OC)C1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations