Geometry & MOs

Info

ID:

123228

PubChem CID:

50838499

Reduced:

N3O4H23C26 (1)

Stoich.:

A3B4C23D26 (1)

Weight, g/mol:

453.154938

ΔHf, kcal/mol:

-78.55

Dipole, Da:

9.14

IP(EA), eV:

 -9.08(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,8-dimethyl-3-phenyl-11-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-triene-7,12-dione

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)OC

DOS

IR

Vibrations