Geometry & MOs

Info

ID:	68878
PubChem CID:	46510979
Reduced:	ClSN2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-89.28
Dipole, Da:	7.51
IP(EA), eV:	-9.18(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

CSC1=NC=C(C(=N1)C(=O)OCC2=CC(=O)OC3=C2C=C4CCCC4=C3)Cl

DOS

IR

Vibrations