Geometry & MOs

Info

ID:	343794
PubChem CID:	127266970
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	4.51
IP(EA), eV:	-8.67(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methylpyridin-4-yl)ethylamino]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2(CCCC2)CNC3CCCNC(=O)C3

DOS

IR

Vibrations