Geometry & MOs

Info

ID:

128628

PubChem CID:

51052427

Reduced:

NO6H33C34 (1)

Stoich.:

AB6C33D34 (1)

Weight, g/mol:

555.204573

ΔHf, kcal/mol:

-125.81

Dipole, Da:

6.79

IP(EA), eV:

 -7.85(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-1-benzoyl-2-(2,4-dimethoxyphenyl)-7-methylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H]1[C@@H](C2(C3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=C(C(=C(C=C6)OC)OC)OC

DOS

IR

Vibrations