Geometry & MOs

Info

ID:

426955

PubChem CID:

135154696

Reduced:

PO5N7C25H38 (1)

Stoich.:

AB5C7D25E38 (1)

Weight, g/mol:

439.185569

ΔHf, kcal/mol:

-209.82

Dipole, Da:

3.52

IP(EA), eV:

 -8.64(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[7-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]acetate

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)NP(=O)(CO[C@@H](C)CN1C=NC2=C(N=CN=C21)N)N[C@@H](C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations