Geometry & MOs

Info

ID:

442131

PubChem CID:

135250003

Reduced:

O2N4H40C49 (1)

Stoich.:

A2B4C40D49 (1)

Weight, g/mol:

355.14331

ΔHf, kcal/mol:

119.47

Dipole, Da:

0.69

IP(EA), eV:

 -8.49(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CN=C(C=C2)C3=CC4=C(C=C3)C5=C(C4(C6=CC=CC=C6)C7=CC=CC=C7)C=C(C8=CC=CC=C85)C9=NC=C(C=C9)C1=NC(CO1)(C)C)C

DOS

IR

Vibrations