Geometry & MOs

Info

ID:

336053

PubChem CID:

127255060

Reduced:

O3Cl4N6C35H50 (1)

Stoich.:

A3B4C6D35E50 (1)

Weight, g/mol:

603.205716

ΔHf, kcal/mol:

-193.95

Dipole, Da:

5.59

IP(EA), eV:

 -8.6(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-7-fluoro-1-(4-methylbenzoyl)-2-(2,3,4-trimethoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4N(C3=O)CC(CN5CCN(CC5)CC6=CC=CC=C6)O)O.Cl.Cl.Cl.Cl

DOS

IR

Vibrations