Geometry & MOs

Info

ID:	147455
PubChem CID:	53787111
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	282.183109
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	7.67
IP(EA), eV:	-9.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S)-2-(3-hydroxy-3-methyloct-1-enyl)-5-oxocyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CON=C1CC=C(C=C1)C2CC(ON2)CC(=O)O

DOS

IR

Vibrations