Geometry & MOs

Info

ID:

440026

PubChem CID:

135229911

Reduced:

NOH51C82 (1)

Stoich.:

ABC51D82 (1)

Weight, g/mol:

256.168797

ΔHf, kcal/mol:

314.19

Dipole, Da:

1.01

IP(EA), eV:

 -8.11(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(E)-2-methyl-1-(1H-pyrrol-3-yl)but-1-enyl]-1H-imidazol-4-yl]propan-2-imine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N(C3=CC4=C(C=C3)C5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C84)C9=CC=CC(=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations