Geometry & MOs

Info

ID:

181280

PubChem CID:

76727707

Reduced:

O3N4C27H32 (1)

Stoich.:

A3B4C27D32 (1)

Weight, g/mol:

476.242356

ΔHf, kcal/mol:

-77.77

Dipole, Da:

3.37

IP(EA), eV:

 -8.21(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-ethoxy-13-[2-[2-hydroxyethyl(methyl)amino]ethyl]-15-methyl-10-phenyl-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

CCNCCCN1C(=O)C2(CC3=C(C(N2C1=O)C4=CC=CC=C4)NC5=C3C=C(C=C5)OCC)C

DOS

IR

Vibrations