Geometry & MOs

Info

ID:	279380
PubChem CID:	103843570
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-73.56
Dipole, Da:	5.95
IP(EA), eV:	-9.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CN=CS1)CO

DOS

IR

Vibrations