Geometry & MOs

Info

ID:	50946
PubChem CID:	12013546
Reduced:	O3H10C12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	216.078644
ΔH_f, kcal/mol:	-79.53
Dipole, Da:	3.18
IP(EA), eV:	-9.61(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations