Geometry & MOs

Info

ID:

181428

PubChem CID:

76745897

Reduced:

NH6C9 (10)

Stoich.:

AB6C9 (10)

Weight, g/mol:

408.204907

ΔHf, kcal/mol:

535.17

Dipole, Da:

1.69

IP(EA), eV:

 -8.02(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 13-methyl-2-(2-methylpropyl)-2-(5-oxo-1,2,4-oxadiazolidin-3-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6N(C7=CC=CC=C7C8=CC=C(C9=NC1=CC=CC=C1N=C89)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1C1=CC=C(C2=NC3=CC=CC=C3N=C12)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations