Geometry & MOs

Info

ID:

334397

PubChem CID:

127252949

Reduced:

ClN3O7H22C24 (1)

Stoich.:

AB3C7D22E24 (1)

Weight, g/mol:

447.179421

ΔHf, kcal/mol:

-125.82

Dipole, Da:

3.72

IP(EA), eV:

 -9.06(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-(2,3,4-trimethoxyphenyl)-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4=NC(=NO4)C5=CC=CO5

DOS

IR

Vibrations