Geometry & MOs

Info

ID:	48267
PubChem CID:	10538487
Reduced:	PO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-224.28
Dipole, Da:	4.2
IP(EA), eV:	-9.26(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate

Drug info:

PubChemData

Smile

CCO/C=C(\CC=C)/P(=O)(OCC)OCC

DOS

IR

Vibrations