Geometry & MOs

Info

ID:	18167
PubChem CID:	538643
Reduced:	N2O5C12H18 (1)
Stoich.:	A2B5C12D18 (1)
Weight, g/mol:	270.121572
ΔH_f, kcal/mol:	-216.02
Dipole, Da:	4.35
IP(EA), eV:	-10.44(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetamido-2-(acetyloxymethyl)-4-cyanobutyl] acetate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(COC(=O)C)COC(=O)C)C#N

DOS

IR

Vibrations