Geometry & MOs

Info

ID:

379503

PubChem CID:

134437043

Reduced:

O4N7C29H31 (1)

Stoich.:

A4B7C29D31 (1)

Weight, g/mol:

543.239416

ΔHf, kcal/mol:

-21.81

Dipole, Da:

7.97

IP(EA), eV:

 -8.78(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-[6-[(5-fluoro-6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CCCN(CC4)C(=O)C5=CN=C(C=C5)OC)O

DOS

IR

Vibrations