Geometry & MOs

Info

ID:

181282

PubChem CID:

76727709

Reduced:

O3N4C27H28 (1)

Stoich.:

A3B4C27D28 (1)

Weight, g/mol:

472.247441

ΔHf, kcal/mol:

-6.73

Dipole, Da:

6.56

IP(EA), eV:

 -8.28(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-[2-(cyclopropylmethylamino)ethyl]-4-ethoxy-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

CCOC1=CC2=C(C=C1)NC3=C2CC4(C(=O)N(C(=O)N4C3C5=CC=CC=C5)CCNCC#C)C

DOS

IR

Vibrations