Geometry & MOs

Info

ID:

334234

PubChem CID:

127252786

Reduced:

ClN2O7H23C25 (1)

Stoich.:

AB2C7D23E25 (1)

Weight, g/mol:

419.257277

ΔHf, kcal/mol:

-214.7

Dipole, Da:

5.63

IP(EA), eV:

 -8.7(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-8-cyclohexyl-11-(3-methylbutyl)-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)NC4=CC5=C(C=C4)OCC(=O)N5C

DOS

IR

Vibrations