Geometry & MOs

Info

ID:	394446
PubChem CID:	135023010
Reduced:	O3C8H15 (2)
Stoich.:	A3B8C15 (2)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-255.87
Dipole, Da:	3.09
IP(EA), eV:	-9.45(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3,5-dimethylphenyl)-3-prop-2-enylfuran-2-one

Drug info:

PubChemData

Smile

COCC1[C@H](C(C([C@@](O1)(CCCO)CC=C)OC)OC)OC

DOS

IR

Vibrations