Geometry & MOs

Info

ID:

437351

PubChem CID:

135226160

Reduced:

N2O4C24H27 (1)

Stoich.:

A2B4C24D27 (1)

Weight, g/mol:

389.222903

ΔHf, kcal/mol:

-123.66

Dipole, Da:

8.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.969391

Charge, e:

 1

Chem-info

IUPAC name:

10,10,16,16-tetramethyl-5-(1-methylpyridin-1-ium-4-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

Drug info:

PubChemData

Smile

CC1(CCN(C2=C1C=C3C=C(C(=O)OC3=C2)C4=C[N+](=CC=C4)C)CCCC(=O)O)C

DOS

IR

Vibrations