Geometry & MOs

Info

ID:	265337
PubChem CID:	103517684
Reduced:	BrN3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	284.06366
ΔH_f, kcal/mol:	12.27
Dipole, Da:	3.86
IP(EA), eV:	-8.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-3,4-diamine

Drug info:

PubChemData

Smile

CCN(CC(C)C)C1=C(C=NC=C1N)Br

DOS

IR

Vibrations