Geometry & MOs

Info

ID:

337655

PubChem CID:

127258278

Reduced:

N2O3C16H17 (2)

Stoich.:

A2B3C16D17 (2)

Weight, g/mol:

580.26857

ΔHf, kcal/mol:

-112.43

Dipole, Da:

12.24

IP(EA), eV:

 -9.05(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;1-phenyl-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CO5.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations