Geometry & MOs

Info

ID:	50945
PubChem CID:	12013545
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	202.062994
ΔH_f, kcal/mol:	-147.02
Dipole, Da:	4.52
IP(EA), eV:	-9.57(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(3-oxobutan-2-ylidene)-2-benzofuran-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations