Geometry & MOs

Info

ID:	437392
PubChem CID:	135226201
Reduced:	O5C13H16 (1)
Stoich.:	A5B13C16 (1)
Weight, g/mol:	280.091101
ΔH_f, kcal/mol:	-189.05
Dipole, Da:	4.4
IP(EA), eV:	-9.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-difluorophenyl)-5-(2-methoxyethyl)furan-3-yl]ethanone

Drug info:

PubChemData

Smile

COCC[C@H]1O[C@H]([C@@H](O1)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations