Geometry & MOs

Info

ID:	191047
PubChem CID:	78099720
Reduced:	O4H20C25 (1)
Stoich.:	A4B20C25 (1)
Weight, g/mol:	404.162374
ΔH_f, kcal/mol:	-80.57
Dipole, Da:	3.59
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4'-benzoyl-4,6,7-trimethyl-2-oxospiro[1-benzofuran-3,5'-cyclopentene]-1'-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CCC(C12C3=CC=CC=C3OC2=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations