Geometry & MOs

Info

ID:	390126
PubChem CID:	134997232
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	684.348231
ΔH_f, kcal/mol:	-186.92
Dipole, Da:	6.86
IP(EA), eV:	-10.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@]2(C1=CC(=O)OC2OC(=O)C)C

DOS

IR

Vibrations