Geometry & MOs

Info

ID:	150717
PubChem CID:	53790412
Reduced:	O2C21H40 (1)
Stoich.:	A2B21C40 (1)
Weight, g/mol:	324.302831
ΔH_f, kcal/mol:	-157.47
Dipole, Da:	1.82
IP(EA), eV:	-10.31(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-[(1R,2R)-2-octylcyclopropyl]octanoate

Drug info:

PubChemData

Smile

CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)OCC

DOS

IR

Vibrations