Geometry & MOs

Info

ID:	83463
PubChem CID:	49857621
Reduced:	ClO2N6H15C19 (1)
Stoich.:	AB2C6D15E19 (1)
Weight, g/mol:	432.165837
ΔH_f, kcal/mol:	81.18
Dipole, Da:	3.34
IP(EA), eV:	-8.56(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6-cyano-3-methoxypyridin-2-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1OC2=C(C=C(C=C2)Cl)C3=C(C=NN3)NC(=O)C4=C5N=CC=CN5N=C4

DOS

IR

Vibrations