Geometry & MOs

Info

ID:	265350
PubChem CID:	103517921
Reduced:	BrON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	287.06332
ΔH_f, kcal/mol:	7.94
Dipole, Da:	3.12
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-amino-5-bromopyridin-4-yl)-propan-2-ylamino]propan-1-ol

Drug info:

PubChemData

Smile

C1CC1N(CCO)C2=C(C=NC=C2N)Br

DOS

IR

Vibrations