Geometry & MOs

Info

ID:

232970

PubChem CID:

87577835

Reduced:

O4N7H17C21 (1)

Stoich.:

A4B7C17D21 (1)

Weight, g/mol:

998.505446

ΔHf, kcal/mol:

64.3

Dipole, Da:

6.73

IP(EA), eV:

 -8.96(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[benzyl(furan-3-ylmethyl)amino]propyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid;2-[2-[benzyl-[(E)-3-phenylprop-2-enyl]amino]ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)N3/C(=C\4/C=CN=N4)/C(=NN3)COC5=CC=C(C=C5)OCC(=O)O

DOS

IR

Vibrations