Geometry & MOs

Info

ID:	197335
PubChem CID:	78953420
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	274.098728
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	4.35
IP(EA), eV:	-9.09(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-methyl-N-(2-methylsulfonylethyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)C3(CCOCC3)C#N

DOS

IR

Vibrations