Geometry & MOs

Info

ID:

419003

PubChem CID:

135107308

Reduced:

O3N7C15H19 (1)

Stoich.:

A3B7C15D19 (1)

Weight, g/mol:

685.358782

ΔHf, kcal/mol:

-7.37

Dipole, Da:

7.37

IP(EA), eV:

 -9.75(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations