Geometry & MOs

Info

ID:	442166
PubChem CID:	135250228
Reduced:	N2H6C7 (3)
Stoich.:	A2B6C7 (3)
Weight, g/mol:	383.185844
ΔH_f, kcal/mol:	166.07
Dipole, Da:	4.93
IP(EA), eV:	-8.73(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=C4C(=NC=CN4N=C3)C5=CCC(CC5)C#N)C=N1

DOS

IR

Vibrations