Geometry & MOs

Info

ID:	48122
PubChem CID:	10537314
Reduced:	O3H12C14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	6.54
IP(EA), eV:	-9.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-hexylidene-5,5-bis(hydroxymethyl)oxolan-2-one

Drug info:

PubChemData

Smile

C1C[C@H]2C=C[C@@H]1C3=CC4C(C=C23)C(=O)OC4=O

DOS

IR

Vibrations