Geometry & MOs

Info

ID:

446304

PubChem CID:

135273917

Reduced:

N3H33C47 (1)

Stoich.:

A3B33C47 (1)

Weight, g/mol:

506.264154

ΔHf, kcal/mol:

206.44

Dipole, Da:

1.51

IP(EA), eV:

 -8.21(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]-1-(oxolan-3-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC4=C3C1=CC=C4)C5=C(C=C2)C6=CC=CC=C6N5C7=CC=CC(=C7)C8=NC(=NC(=C8)C9=CC=CC=C9)C1=CC=CC=C1)C

DOS

IR

Vibrations