Geometry & MOs

Info

ID:	50944
PubChem CID:	12013544
Reduced:	O2H5C6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	3.47
IP(EA), eV:	-9.72(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2E)-2-(3-oxo-2-benzofuran-1-ylidene)propanoate

Drug info:

PubChemData

Smile

C/C(=C\1/C2=CC=CC=C2C(=O)O1)/C(=O)OC

DOS

IR

Vibrations