Geometry & MOs

Info

ID:	135605
PubChem CID:	51900868
Reduced:	NO2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-68.76
Dipole, Da:	4.46
IP(EA), eV:	-9.57(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,5R,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations