Geometry & MOs

Info

ID:

444469

PubChem CID:

135262566

Reduced:

O3N6C28H38 (1)

Stoich.:

A3B6C28D38 (1)

Weight, g/mol:

487.305959

ΔHf, kcal/mol:

-59.34

Dipole, Da:

0.89

IP(EA), eV:

 -8.72(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazole

Drug info:

PubChemData

Smile

CC1C(OCCN1C2=NC(=NC(=C2)N3C4=C(C=C(C(=C4)C5CCN(CC5)C6CCOC6)C)C=N3)C)CO

DOS

IR

Vibrations