Geometry & MOs

Info

ID:	231293
PubChem CID:	87573392
Reduced:	OC19H37 (2)
Stoich.:	AB19C37 (2)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-234.21
Dipole, Da:	2.94
IP(EA), eV:	-9.53(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-1-enyl]-8-oxabicyclo[5.1.0]octane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCCC(O)(CO)CCCCCCCC/C=C/CCCCCCCC

DOS

IR

Vibrations