Geometry & MOs

Info

ID:	366499
PubChem CID:	127320015
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	28.17
Dipole, Da:	4.47
IP(EA), eV:	-8.39(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations