Geometry & MOs

Info

ID:	279880
PubChem CID:	103845503
Reduced:	BrNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-107.23
Dipole, Da:	4.28
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(4-methylsulfanylphenyl)methylamino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC2=C(C(=C1)Br)OCO2)CO

DOS

IR

Vibrations