Geometry & MOs

Info

ID:	49105
PubChem CID:	11528716
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	33.31
Dipole, Da:	5.8
IP(EA), eV:	-8.23(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethylpiperidin-4-yl)-2-methylbenzonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2(CCCCC2)C#N

DOS

IR

Vibrations