Geometry & MOs

Info

ID:

222892

PubChem CID:

85332948

Reduced:

F3N4O6C29H31 (1)

Stoich.:

A3B4C6D29E31 (1)

Weight, g/mol:

592.229499

ΔHf, kcal/mol:

-323.63

Dipole, Da:

3.02

IP(EA), eV:

 -9.26(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]-3-cyano-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-5,7-dioxo-3,3a,4,7a-tetrahydro-2H-pyrazolo[4,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)C1=NN=C(O1)C2=CC=C(C=C2)OC)NC(=O)C3(CCCCC3)NC(=O)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations