Geometry & MOs

Info

ID:	139307
PubChem CID:	52507284
Reduced:	N2C7H9 (3)
Stoich.:	A2B7C9 (3)
Weight, g/mol:	362.221895
ΔH_f, kcal/mol:	114.07
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752617
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=C(C=C2)C#N)C[NH+]3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations