Geometry & MOs

Info

ID:	298554
PubChem CID:	117651056
Reduced:	NO3C18H31 (1)
Stoich.:	AB3C18D31 (1)
Weight, g/mol:	273.121237
ΔH_f, kcal/mol:	-132.83
Dipole, Da:	4.57
IP(EA), eV:	-10.08(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOCCOC(=O)C(=C)C#N

DOS

IR

Vibrations