Geometry & MOs

Info

ID:	270633
PubChem CID:	103637401
Reduced:	BrNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	311.9932
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	5.2
IP(EA), eV:	-8.84(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

COCCCCCNCC1=C(C(=CC=C1)Br)O

DOS

IR

Vibrations