Geometry & MOs

Info

ID:

335719

PubChem CID:

127254581

Reduced:

N4O7H24C25 (1)

Stoich.:

A4B7C24D25 (1)

Weight, g/mol:

563.129964

ΔHf, kcal/mol:

-133.64

Dipole, Da:

7.26

IP(EA), eV:

 -8.94(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])O

DOS

IR

Vibrations