Geometry & MOs

Info

ID:	383718
PubChem CID:	134975598
Reduced:	ClOPH10C14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	49.26
Dipole, Da:	2.86
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-(2-hydroxypropan-2-yl)furan-3-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C([P@@]2Cl)OC3=CC=CC=C3

DOS

IR

Vibrations