Geometry & MOs

Info

ID:

334126

PubChem CID:

127252678

Reduced:

N5O6C41H49 (1)

Stoich.:

A5B6C41D49 (1)

Weight, g/mol:

466.12772

ΔHf, kcal/mol:

-36.52

Dipole, Da:

8.93

IP(EA), eV:

 -8.25(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations