Geometry & MOs

Info

ID:	443922
PubChem CID:	135260546
Reduced:	N5H19C22 (1)
Stoich.:	A5B19C22 (1)
Weight, g/mol:	437.196408
ΔH_f, kcal/mol:	137.4
Dipole, Da:	2.78
IP(EA), eV:	-8.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CN=C4C(=C3C5=CCC(CC5)C#N)C=CN4)C=N1

DOS

IR

Vibrations