Geometry & MOs

Info

ID:	123353
PubChem CID:	50843959
Reduced:	F2N2O3H20C24 (1)
Stoich.:	A2B2C3D20E24 (1)
Weight, g/mol:	389.132861
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	3.36
IP(EA), eV:	-9.34(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C3CCN(CC3=C2C(=O)OCC=C)C(=O)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations