Geometry & MOs

Info

ID:

193905

PubChem CID:

78454065

Reduced:

N3O6H20C24 (1)

Stoich.:

A3B6C20D24 (1)

Weight, g/mol:

352.153541

ΔHf, kcal/mol:

-0.26

Dipole, Da:

14.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.244913

Charge, e:

 0

Chem-info

IUPAC name:

N-(11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)[O-])OC

DOS

IR

Vibrations