Geometry & MOs

Info

ID:	227165
PubChem CID:	87560413
Reduced:	NO7C13H23 (1)
Stoich.:	AB7C13D23 (1)
Weight, g/mol:	287.136887
ΔH_f, kcal/mol:	-297.52
Dipole, Da:	5.18
IP(EA), eV:	-9.75(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(2-hydroxyethoxy)ethoxy]-4-isocyanatobutan-2-yl] (E)-but-2-enoate

Drug info:

PubChemData

Smile

C/C=C/C(=O)OC(C)N=C=O.C(COCCOCCO)O

DOS

IR

Vibrations