Geometry & MOs

Info

ID:

435038

PubChem CID:

135178427

Reduced:

S3N4H26C48 (1)

Stoich.:

A3B4C26D48 (1)

Weight, g/mol:

520.244756

ΔHf, kcal/mol:

284.76

Dipole, Da:

1.56

IP(EA), eV:

 -8.08(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2E,4Z)-5-(methylideneamino)-5-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC=C(C6=NSN=C56)N7C8=C(C9=CC=CC=C97)C1=C(C=C8)SC2=CC=CC=C21)C1=C(C=C3)C2=CC=CC=C2S1

DOS

IR

Vibrations