Geometry & MOs

Info

ID:

334965

PubChem CID:

127253771

Reduced:

NO8H15C27 (1)

Stoich.:

AB8C15D27 (1)

Weight, g/mol:

403.153206

ΔHf, kcal/mol:

-207.65

Dipole, Da:

6.22

IP(EA), eV:

 -8.73(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-8-(4-hydroxy-3-methoxyphenyl)-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

C1=CC=C2C(=C1)C(=C(C(=O)O2)C3=C(OC4=C3C(=O)OC5=CC=CC=C54)C6=CC(=C(C=C6)O)C(=O)N)O

DOS

IR

Vibrations