Geometry & MOs

Info

ID:	421389
PubChem CID:	135115906
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-20.55
Dipole, Da:	4.4
IP(EA), eV:	-9.03(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methylpyridin-4-yl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations