Geometry & MOs

Info

ID:	263296
PubChem CID:	103353725
Reduced:	BrN5C14H20 (1)
Stoich.:	AB5C14D20 (1)
Weight, g/mol:	277.134575
ΔH_f, kcal/mol:	61.71
Dipole, Da:	2.33
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)C2=NN3C=CC=C(C3=N2)Br

DOS

IR

Vibrations