Geometry & MOs

Info

ID:	227232
PubChem CID:	87560732
Reduced:	O6C9H10 (1)
Stoich.:	A6B9C10 (1)
Weight, g/mol:	460.130218
ΔH_f, kcal/mol:	-229.24
Dipole, Da:	5.51
IP(EA), eV:	-11.32(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[3-[2-(4-chlorophenyl)ethyl]-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]-4-(1-methylindol-5-yl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

C(C/C(=C/C(=O)O)/C(=O)O)C=CC(=O)O

DOS

IR

Vibrations