Geometry & MOs

Info

ID:	442146
PubChem CID:	135250078
Reduced:	ON7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	123.05
Dipole, Da:	7.52
IP(EA), eV:	-8.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

CC1=NC2(CCN(CC2)C3=CC=CC4=NC=C(N43)C#CC5=CN(N=C5)C)C(=O)N1

DOS

IR

Vibrations