Geometry & MOs

Info

ID:

334000

PubChem CID:

127252552

Reduced:

N3O6C23H25 (1)

Stoich.:

A3B6C23D25 (1)

Weight, g/mol:

486.226705

ΔHf, kcal/mol:

-204.26

Dipole, Da:

4.91

IP(EA), eV:

 -9.4(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[5-acetyl-11-(3-methylbutyl)-6-oxo-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-8-yl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(C=C3)C(=O)OC)O

DOS

IR

Vibrations