Geometry & MOs

Info

ID:

181666

PubChem CID:

76772955

Reduced:

O4N7C46H49 (1)

Stoich.:

A4B7C46D49 (1)

Weight, g/mol:

447.234204

ΔHf, kcal/mol:

-8.27

Dipole, Da:

8.7

IP(EA), eV:

 -8.78(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-methyl-5-[7-(2-trimethylsilylethynyl)-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(C1=CC=CC=C1)C(=O)N2CCCC2C3=NC4=C(C3)C=CC(=C4)C5=NC=C(O5)C6=CC(=CC=C6)NC(=O)C7CCCN7C(=O)C(C8=CC=CC=C8)N(C)C

DOS

IR

Vibrations