Geometry & MOs

Info

ID:	367937
PubChem CID:	127326111
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	399.299811
ΔH_f, kcal/mol:	-4.52
Dipole, Da:	8.0
IP(EA), eV:	-8.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methylcyclohexyl)piperazin-1-yl]-N-(6-piperidin-1-ylpyridin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C3CCN(C3=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations