Geometry & MOs

Info

ID:	310359
PubChem CID:	126579225
Reduced:	ClNC8H10 (3)
Stoich.:	ABC8D10 (3)
Weight, g/mol:	485.174916
ΔH_f, kcal/mol:	-5.9
Dipole, Da:	1.09
IP(EA), eV:	-8.5(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,4-dichlorophenyl)ethylamino]-4-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC2=C(C=CC(=C2)C3CCN(CC3)[C@H]4CCCNC4)Cl

DOS

IR

Vibrations