Geometry & MOs

Info

ID:	85679
PubChem CID:	49878023
Reduced:	NO2C10H11 (3)
Stoich.:	AB2C10D11 (3)
Weight, g/mol:	466.1904
ΔH_f, kcal/mol:	-183.81
Dipole, Da:	10.45
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4'Z)-1-butyl-4'-[(4-fluorophenyl)-hydroxymethylidene]-1'-(3-methoxypropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2C3(C1=O)/C(=C(\C4=CC5=C(C=C4)OC(C5)C)/O)/C(=O)C(=O)N3CCN6CCOCC6

DOS

IR

Vibrations