Geometry & MOs

Info

ID:	176580
PubChem CID:	76069439
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	490.256668
ΔH_f, kcal/mol:	-131.89
Dipole, Da:	2.79
IP(EA), eV:	-8.98(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hydroxy-3-(oxan-2-yloxy)-2-[1-(oxan-2-yloxy)-4-phenoxybut-1-enyl]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)N1C=CCCC(C1=O)N

DOS

IR

Vibrations