Geometry & MOs

Info

ID:

416292

PubChem CID:

135089305

Reduced:

O3N4C19H26 (1)

Stoich.:

A3B4C19D26 (1)

Weight, g/mol:

656.332233

ΔHf, kcal/mol:

-70.16

Dipole, Da:

4.58

IP(EA), eV:

 -8.97(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)CCC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations