Geometry & MOs

Info

ID:	146289
PubChem CID:	53664428
Reduced:	SO3N4C13H24 (1)
Stoich.:	AB3C4D13E24 (1)
Weight, g/mol:	419.246044
ΔH_f, kcal/mol:	-99.94
Dipole, Da:	2.83
IP(EA), eV:	-8.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[bis[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol

Drug info:

PubChemData

Smile

CC(COC1=NSN=C1N2CCO[C@@H](C2)NC(C)(C)C)O

DOS

IR

Vibrations