Geometry & MOs

Info

ID:	147634
PubChem CID:	53787290
Reduced:	NOH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	24.82
Dipole, Da:	3.04
IP(EA), eV:	-9.29(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2S,3R)-3-hydroxy-2-[4-hydroxy-4-(1-propylcyclobutyl)but-1-ynyl]-5-oxocyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C=C(C#N)C1=CC=C(C=C1)O

DOS

IR

Vibrations