Geometry & MOs

Info

ID:

51506

PubChem CID:

12014184

Reduced:

N4O4H38C39 (1)

Stoich.:

A4B4C38D39 (1)

Weight, g/mol:

772.373704

ΔHf, kcal/mol:

-93.3

Dipole, Da:

3.2

IP(EA), eV:

 -9.06(-2.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-bis[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](C3=CC=NC4=CC=CC=C34)N5C(=O)C6=C7C(=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9CCCCC9)C5=O

DOS

IR

Vibrations