Geometry & MOs

Info

ID:

322565

PubChem CID:

126670520

Reduced:

ON2H20C22 (1)

Stoich.:

AB2C20D22 (1)

Weight, g/mol:

559.298097

ΔHf, kcal/mol:

33.69

Dipole, Da:

2.72

IP(EA), eV:

 -7.83(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[(2S)-2-methyl-6-[3-(3-methylpyrazol-1-yl)azetidin-1-yl]spiro[2.5]octan-2-yl]-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)OC3=CC=CC4=C3N2C5=C(C4(C)C)C=CC=N5

DOS

IR

Vibrations