Geometry & MOs

Info

ID:

334533

PubChem CID:

127253208

Reduced:

O8H28C31 (1)

Stoich.:

A8B28C31 (1)

Weight, g/mol:

407.103669

ΔHf, kcal/mol:

-197.49

Dipole, Da:

4.23

IP(EA), eV:

 -8.42(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-8-(3-chloro-4-hydroxyphenyl)-11-methyl-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

CC(=C)COC1=C(C=CC(=C1)C2CC(=O)OC3=C2C4=C(C=C3)C(=O)/C(=C/C5=CC(=C(C=C5)OC)OC)/O4)OC

DOS

IR

Vibrations