Geometry & MOs

Info

ID:

446312

PubChem CID:

135273961

Reduced:

NH9C13 (3)

Stoich.:

AB9C13 (3)

Weight, g/mol:

502.305624

ΔHf, kcal/mol:

179.0

Dipole, Da:

3.09

IP(EA), eV:

 -8.09(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-4-[5-methyl-1-[2-methyl-6-[6-methyl-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]indazol-6-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC4=C3C1=CC=C4)C5=C(C=C2)N(C6=CC=CC=C65)C7=NC8=CC=CC=C8C(=N7)C9=CC=CC=C9)C

DOS

IR

Vibrations