Geometry & MOs

Info

ID:	293052
PubChem CID:	117372565
Reduced:	ClN3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	246.98441
ΔH_f, kcal/mol:	45.01
Dipole, Da:	3.67
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminooxyethyl)-4-bromobenzene-1,2-diol

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC(=CC3=C2CCC3)Cl)N

DOS

IR

Vibrations