Geometry & MOs

Info

ID:	304088
PubChem CID:	124492761
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	282.07316
ΔH_f, kcal/mol:	-92.35
Dipole, Da:	4.98
IP(EA), eV:	-9.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(2R)-1-propylpiperidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C2=CN=C(C=C2)Br

DOS

IR

Vibrations