Geometry & MOs

Info

ID:	14427
PubChem CID:	411141
Reduced:	NOC13H20 (2)
Stoich.:	ABC13D20 (2)
Weight, g/mol:	412.308979
ΔH_f, kcal/mol:	-90.79
Dipole, Da:	1.74
IP(EA), eV:	-8.34(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperidin-1-yl-1-[4-[4-[2-(2H-pyridin-1-yl)acetyl]cyclohexyl]cyclohexyl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC(=O)C2CCC(CC2)C3CCC(CC3)C(=O)CN4CC=CC=C4

DOS

IR

Vibrations