Geometry & MOs

Info

ID:	385570
PubChem CID:	134979431
Reduced:	O5C25H34 (1)
Stoich.:	A5B25C34 (1)
Weight, g/mol:	138.06808
ΔH_f, kcal/mol:	-203.39
Dipole, Da:	4.76
IP(EA), eV:	-9.45(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(1Z)-buta-1,3-dienyl]oxolan-2-one

Drug info:

PubChemData

Smile

C[C@H](CCCC[C@@H]1[C@H](C(=O)O1)CO)C/C(=C/C(=C/C(=O)OCC2=CC=CC=C2)/C)/C

DOS

IR

Vibrations