Geometry & MOs

Info

ID:

177269

PubChem CID:

76157705

Reduced:

NaN3O5H11C14 (1)

Stoich.:

AB3C5D11E14 (1)

Weight, g/mol:

485.24269

ΔHf, kcal/mol:

-98.06

Dipole, Da:

23.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.474326

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-(1-hydroxypropan-2-yl)-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NN=C2C=CC(=O)C(=C2)C(=O)O)[N+](=O)[O-].[Na+]

DOS

IR

Vibrations