Geometry & MOs

Info

ID:

181644

PubChem CID:

76768468

Reduced:

N3O3C19H25 (1)

Stoich.:

A3B3C19D25 (1)

Weight, g/mol:

617.275053

ΔHf, kcal/mol:

-87.39

Dipole, Da:

6.21

IP(EA), eV:

 -9.44(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[6-[2-[2-[1-(3-oxocyclopentanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC(=O)N(C)C)C1CCC2=C1C=CC=C2[N+]#[C-]

DOS

IR

Vibrations