Geometry & MOs

Info

ID:	147290
PubChem CID:	53786945
Reduced:	N2C16H31 (1)
Stoich.:	A2B16C31 (1)
Weight, g/mol:	254.090272
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	2.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771570
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-cyanoacetyl)oxy-1-ethoxypropyl] 2-cyanoacetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=[N+](C=CN1C)C

DOS

IR

Vibrations