Geometry & MOs

Info

ID:	159596
PubChem CID:	57288511
Reduced:	OC11H14 (2)
Stoich.:	AB11C14 (2)
Weight, g/mol:	388.224974
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	2.49
IP(EA), eV:	-9.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,2R,3S,6S)-2-[4-(6-bicyclo[3.1.0]hexanyl)-3-hydroxybut-1-ynyl]-3-hydroxy-6-methoxy-7-bicyclo[4.2.0]octanylidene]butanoic acid

Drug info:

PubChemData

Smile

CCCCC1=C(C(=CC=C1)C(=O)OCC2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations