Geometry & MOs

Info

ID:	442080
PubChem CID:	135249416
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	110.47
Dipole, Da:	10.91
IP(EA), eV:	-8.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]but-3-yn-2-ol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C#CC2=CN=C3N2C(=CC=C3)N4CCC(C4)C(=O)N

DOS

IR

Vibrations