Geometry & MOs

Info

ID:	279917
PubChem CID:	103845654
Reduced:	NOF3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-183.82
Dipole, Da:	5.59
IP(EA), eV:	-9.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations