Geometry & MOs

Info

ID:	410728
PubChem CID:	135083529
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	248.050715
ΔH_f, kcal/mol:	-39.02
Dipole, Da:	0.67
IP(EA), eV:	-9.63(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-hydroxy-2-thiophen-2-ylacetate

Drug info:

PubChemData

Smile

CC(=C)COC(CC=C)(CC=C)C=O

DOS

IR

Vibrations