Geometry & MOs

Info

ID:	227167
PubChem CID:	87560415
Reduced:	NO7C13H23 (1)
Stoich.:	AB7C13D23 (1)
Weight, g/mol:	155.058243
ΔH_f, kcal/mol:	-291.92
Dipole, Da:	5.52
IP(EA), eV:	-10.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyanatoethyl (E)-but-2-enoate

Drug info:

PubChemData

Smile

C/C=C/C(=O)O.C(CN=C=O)C(COCCOCCO)O

DOS

IR

Vibrations