Geometry & MOs

Info

ID:

334316

PubChem CID:

127252868

Reduced:

NO3C13H15 (2)

Stoich.:

AB3C13D15 (2)

Weight, g/mol:

565.221286

ΔHf, kcal/mol:

-177.11

Dipole, Da:

8.86

IP(EA), eV:

 -8.45(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC(C2=CC=CC=C2)N(C)C)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations