Geometry & MOs

Info

ID:

219088

PubChem CID:

85090470

Reduced:

Se2O4C25H28 (1)

Stoich.:

A2B4C25D28 (1)

Weight, g/mol:

550.220318

ΔHf, kcal/mol:

-123.16

Dipole, Da:

3.9

IP(EA), eV:

 -8.04(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-fluoro-3-(trifluoromethyl)phenyl]methyl 6-(4-aminobutyl)-8-benzyl-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1CC(CC1=C[Se]C2=CC=CC=C2)(C(=O)OC)C(=O)OC)[Se]C3=CC=CC=C3

DOS

IR

Vibrations