Geometry & MOs

Info

ID:	152045
PubChem CID:	56310896
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-10.77
Dipole, Da:	3.43
IP(EA), eV:	-9.17(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(CCC#N)C3=CC=CC=C3

DOS

IR

Vibrations