Geometry & MOs

Info

ID:

379027

PubChem CID:

134228926

Reduced:

ON3H49C63 (1)

Stoich.:

AB3C49D63 (1)

Weight, g/mol:

371.163377

ΔHf, kcal/mol:

339.39

Dipole, Da:

7.28

IP(EA), eV:

 -8.23(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[(Z)-but-1-en-3-ynyl]-3-methylphenyl]methyl]-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-oxoimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC/C(=C/C=C(\C=C)/C1=CC=C(C=C1)N(C2=CC=C(C=C2)/C(=C\3/C(=C\C)/C4=CC=CC=C4O3)/C)C5=CC(=CC(=C5)N6C7=C(C#CC=C7)C8=CC=CC=C86)N9C1=CC=CC=C1C1=CC=CC=C19)/C

DOS

IR

Vibrations