Geometry & MOs

Info

ID:	268922
PubChem CID:	103602230
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	283.141973
ΔH_f, kcal/mol:	-182.39
Dipole, Da:	5.42
IP(EA), eV:	-9.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NC(CC)(CO)CO

DOS

IR

Vibrations