Geometry & MOs

Info

ID:	357584
PubChem CID:	127294257
Reduced:	OSN6C17H30 (1)
Stoich.:	ABC6D17E30 (1)
Weight, g/mol:	390.224261
ΔH_f, kcal/mol:	-9.47
Dipole, Da:	5.2
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1-methylpiperidin-2-yl)methyl]piperazine-1-carbonyl]-6-(trifluoromethyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2CCCCN2C)SC3=NN=CN3C

DOS

IR

Vibrations