Geometry & MOs

Info

ID:	176851
PubChem CID:	76105554
Reduced:	N3O7C14H17 (1)
Stoich.:	A3B7C14D17 (1)
Weight, g/mol:	362.24571
ΔH_f, kcal/mol:	-185.97
Dipole, Da:	7.33
IP(EA), eV:	-9.23(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(4-ethynyl-4-hydroxyoctyl)-5-oxocyclopentyl]hept-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)COCC2CNC(=O)NC2=O)[N+](=O)[O-])OC

DOS

IR

Vibrations