Geometry & MOs

Info

ID:

442496

PubChem CID:

135252485

Reduced:

O2N7H43C67 (1)

Stoich.:

A2B7C43D67 (1)

Weight, g/mol:

483.249507

ΔHf, kcal/mol:

307.64

Dipole, Da:

0.68

IP(EA), eV:

 -7.92(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=NC8=CC9=C(N=C8O7)OC(=N9)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations