Geometry & MOs

Info

ID:	83464
PubChem CID:	49857622
Reduced:	O3N8H20C21 (1)
Stoich.:	A3B8C20D21 (1)
Weight, g/mol:	441.131615
ΔH_f, kcal/mol:	49.89
Dipole, Da:	5.87
IP(EA), eV:	-8.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxypyridin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN1C=C(C(=N1)C2=C(C=CC(=N2)C#N)OC)NC(=O)C3=C4N=CC=CN4N=C3)O

DOS

IR

Vibrations