Geometry & MOs

Info

ID:

378557

PubChem CID:

134224648

Reduced:

S2N4H28C53 (1)

Stoich.:

A2B4C28D53 (1)

Weight, g/mol:

319.132077

ΔHf, kcal/mol:

284.9

Dipole, Da:

7.35

IP(EA), eV:

 -8.42(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-benzyl-2-[(Z)-2-methoxypent-2-en-4-ynyl]-7H-imidazo[1,2-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC6=C(C=C5)C7=C(S6)C=CC(=C7)N8C9=C(C=C(C=C9)C#N)C1=CC2=C(C=C18)SC1=CC3=CC=CC=C3C=C12

DOS

IR

Vibrations