Geometry & MOs

Info

ID:

446288

PubChem CID:

135273808

Reduced:

N2H15C25 (2)

Stoich.:

A2B15C25 (2)

Weight, g/mol:

518.300539

ΔHf, kcal/mol:

265.07

Dipole, Da:

0.8

IP(EA), eV:

 -8.28(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[5-methyl-1-[2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-yl]indazol-6-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)C7(C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC2=C1C6=CC=C2)C1=CC=CC=C1

DOS

IR

Vibrations