Geometry & MOs

Info

ID:	283012
PubChem CID:	103953034
Reduced:	BrNO4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-126.68
Dipole, Da:	2.53
IP(EA), eV:	-8.85(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3-methylphenoxy)ethylamino]methyl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)NCC2=C(C(=C(C=C2)O)O)O

DOS

IR

Vibrations