Geometry & MOs

Info

ID:	230522
PubChem CID:	87571226
Reduced:	FN2O10C24H33 (1)
Stoich.:	AB2C10D24E33 (1)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	-445.75
Dipole, Da:	2.18
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-buta-1,3-dien-2-yloxy-10-oxodecanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)OC)O)O)O)O)C(C)C)C)F

DOS

IR

Vibrations