Geometry & MOs

Info

ID:

181281

PubChem CID:

76727708

Reduced:

N4O4C27H32 (1)

Stoich.:

A4B4C27D32 (1)

Weight, g/mol:

456.216141

ΔHf, kcal/mol:

-110.89

Dipole, Da:

3.45

IP(EA), eV:

 -8.05(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-ethoxy-15-methyl-10-phenyl-13-[2-(prop-2-ynylamino)ethyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)NC3=C2CC4(C(=O)N(C(=O)N4C3C5=CC=CC=C5)CCN(C)CCO)C

DOS

IR

Vibrations