Geometry & MOs

Info

ID:	279893
PubChem CID:	103845559
Reduced:	NO3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-124.83
Dipole, Da:	2.33
IP(EA), eV:	-8.89(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=C(C(=CC=C1)OC)OC)CO

DOS

IR

Vibrations