Geometry & MOs

Info

ID:	140250
PubChem CID:	52670082
Reduced:	O3N4C24H38 (1)
Stoich.:	A3B4C24D38 (1)
Weight, g/mol:	435.22887
ΔH_f, kcal/mol:	-150.73
Dipole, Da:	9.42
IP(EA), eV:	-9.0(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenoxy)-1-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)CC(=O)N3C[C@@H](C[C@H](C3)C)C

DOS

IR

Vibrations