Geometry & MOs

Info

ID:

177762

PubChem CID:

76227302

Reduced:

NO2C11H13 (2)

Stoich.:

AB2C11D13 (2)

Weight, g/mol:

463.219274

ΔHf, kcal/mol:

-117.61

Dipole, Da:

8.19

IP(EA), eV:

 -7.84(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5H-pyrimidin-3-ium-5-yl]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=CC(=O)OC(C)C(=O)NC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations