Geometry & MOs

Info

ID:	298553
PubChem CID:	117651053
Reduced:	NaN3O4C11H20 (1)
Stoich.:	AB3C4D11E20 (1)
Weight, g/mol:	309.230394
ΔH_f, kcal/mol:	-177.71
Dipole, Da:	23.7
IP(EA), eV:	-8.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dodecoxyethyl 2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.NO.[Na+]

DOS

IR

Vibrations