Geometry & MOs

Info

ID:	383247
PubChem CID:	134974870
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-167.49
Dipole, Da:	4.18
IP(EA), eV:	-10.12(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aS,5R,6aS)-5-butoxy-2-hydroxy-3,3a,4,5,6,6a-hexahydropentalene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCO[C@H]1C[C@H]2[C@H]3C1C3C(=O)C2C(=O)OCC

DOS

IR

Vibrations