Geometry & MOs

Info

ID:	191048
PubChem CID:	78099721
Reduced:	O5H24C25 (1)
Stoich.:	A5B24C25 (1)
Weight, g/mol:	440.06232
ΔH_f, kcal/mol:	-158.42
Dipole, Da:	3.16
IP(EA), eV:	-9.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4'-(2-bromophenyl)-2-oxospiro[1-benzofuran-3,5'-cyclopentene]-1'-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CCC(C12C3=C(C=C(C(=C3OC2=O)C)C)C)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations