Geometry & MOs

Info

ID:	26102
PubChem CID:	638958
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	96.99862
ΔH_f, kcal/mol:	-219.15
Dipole, Da:	3.16
IP(EA), eV:	-9.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1CCCCCC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O

DOS

IR

Vibrations