Geometry & MOs

Info

ID:	365857
PubChem CID:	127318813
Reduced:	ON4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	389.229012
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	4.73
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1CC2CCCN(C2)C(=O)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations