Geometry & MOs

Info

ID:	227166
PubChem CID:	87560414
Reduced:	NO6C13H21 (1)
Stoich.:	AB6C13D21 (1)
Weight, g/mol:	305.147452
ΔH_f, kcal/mol:	-239.71
Dipole, Da:	5.61
IP(EA), eV:	-10.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enoic acid;1-[2-(2-hydroxyethoxy)ethoxy]-4-isocyanatobutan-2-ol

Drug info:

PubChemData

Smile

C/C=C/C(=O)OC(CCN=C=O)COCCOCCO

DOS

IR

Vibrations