Geometry & MOs

Info

ID:

442558

PubChem CID:

135252959

Reduced:

ON4H60C82 (1)

Stoich.:

AB4C60D82 (1)

Weight, g/mol:

398.196743

ΔHf, kcal/mol:

286.14

Dipole, Da:

4.85

IP(EA), eV:

 -8.49(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C2=CC=CC=C2)C)C3=CC=CC(=C3)C4=CC(=CC(=C4)C5=CC=CC=C5)C6=CC(=CC=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)N9C1=CC2=C(C=C1C1=C9C=C(C=C1)C(=O)C1=CC=CC=C1)C1=CC=CC=C1C2(C)C)C)C1=CC=CC=C1

DOS

IR

Vibrations