Geometry & MOs

Info

ID:	263292
PubChem CID:	103353402
Reduced:	N2O2C15H32 (1)
Stoich.:	A2B2C15D32 (1)
Weight, g/mol:	321.08406
ΔH_f, kcal/mol:	-125.44
Dipole, Da:	2.55
IP(EA), eV:	-8.55(1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-bromobenzonitrile

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)CCC(OCC)OCC

DOS

IR

Vibrations