Geometry & MOs

Info

ID:	442077
PubChem CID:	135249357
Reduced:	N6H22C23 (1)
Stoich.:	A6B22C23 (1)
Weight, g/mol:	441.227709
ΔH_f, kcal/mol:	129.41
Dipole, Da:	1.47
IP(EA), eV:	-8.34(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyridin-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=CC=C(C=C2)C3=CN=C4C(=C3N5CCC(CC5)C#N)C=CN4

DOS

IR

Vibrations