Geometry & MOs

Info

ID:

395672

PubChem CID:

135026225

Reduced:

N3O6H13C14 (1)

Stoich.:

A3B6C13D14 (1)

Weight, g/mol:

580.188589

ΔHf, kcal/mol:

-118.22

Dipole, Da:

7.48

IP(EA), eV:

 -10.14(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12R,16R)-7,10,18,21-tetramethoxynonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione

Drug info:

PubChemData

Smile

CN1CCN2C1=C(C(=O)C2(C3=CC=CC=C3C(=O)O)O)[N+](=O)[O-]

DOS

IR

Vibrations