Geometry & MOs

Info

ID:	279347
PubChem CID:	103843239
Reduced:	BrNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-126.05
Dipole, Da:	7.48
IP(EA), eV:	-9.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC(=C(C=C1)OC)Br)CO

DOS

IR

Vibrations