Geometry & MOs

Info

ID:

334022

PubChem CID:

127252574

Reduced:

O4H11C14 (2)

Stoich.:

A4B11C14 (2)

Weight, g/mol:

415.153206

ΔHf, kcal/mol:

-201.52

Dipole, Da:

4.16

IP(EA), eV:

 -8.42(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC6=C(C=C5)OCCO6)OC

DOS

IR

Vibrations