Geometry & MOs

Info

ID:

54652

PubChem CID:

17389045

Reduced:

F3N3O4H14C20 (1)

Stoich.:

A3B3C4D14E20 (1)

Weight, g/mol:

468.132136

ΔHf, kcal/mol:

-139.06

Dipole, Da:

6.19

IP(EA), eV:

 -9.2(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-(2-methoxy-4-nitrophenyl)-8-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=N/NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations