Geometry & MOs

Info

ID:

446259

PubChem CID:

135273591

Reduced:

N3H26C43 (2)

Stoich.:

A3B26C43 (2)

Weight, g/mol:

484.198966

ΔHf, kcal/mol:

452.19

Dipole, Da:

1.54

IP(EA), eV:

 -8.47(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-chloro-1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-1-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC(=C(C=C5C#N)C6=C(C=C(C(=C6)C#N)N7C8=C(C=C(C=C8)C9=CC=CC=C9)C1=CC=CC=C17)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC=CC=C1)N1C2=C(C=C(C=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations