Geometry & MOs

Info

ID:	205273
PubChem CID:	80078614
Reduced:	BrNO3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	295.214744
ΔH_f, kcal/mol:	-128.4
Dipole, Da:	6.5
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CCCNCC1=CC(=C(C(=C1)Br)OC(C)C(C)O)OCC

DOS

IR

Vibrations