Geometry & MOs

Info

ID:	146647
PubChem CID:	53723309
Reduced:	N3O5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	3.4
IP(EA), eV:	-8.75(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]hex-4-ynoic acid

Drug info:

PubChemData

Smile

CCCC1(CCC(=O)NC1=O)N2C=C3C(=C2O)C=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations