Geometry & MOs

Info

ID:	263293
PubChem CID:	103353620
Reduced:	BrN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	38.8
Dipole, Da:	3.57
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)C2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations