Geometry & MOs

Info

ID:	279350
PubChem CID:	103843264
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-147.53
Dipole, Da:	3.17
IP(EA), eV:	-9.7(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)CCC(C)C)CO

DOS

IR

Vibrations