Geometry & MOs

Info

ID:	270560
PubChem CID:	103637106
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	4.23
IP(EA), eV:	-8.78(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

C1CC1CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations