Geometry & MOs

Info

ID:	265354
PubChem CID:	103518097
Reduced:	BrON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	311.09971
ΔH_f, kcal/mol:	26.06
Dipole, Da:	3.68
IP(EA), eV:	-8.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(4,4-diethylpiperidin-1-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNC2=C(C=NC=C2N)Br

DOS

IR

Vibrations