Geometry & MOs

Info

ID:	283017
PubChem CID:	103953101
Reduced:	NO5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-197.77
Dipole, Da:	4.31
IP(EA), eV:	-8.7(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-methyl-1-phenylpropyl)amino]methyl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

COCCOCCCNCC1=C(C(=C(C=C1)O)O)O

DOS

IR

Vibrations