Geometry & MOs

Info

ID:	130438
PubChem CID:	51090863
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	1.57
IP(EA), eV:	-8.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-piperidin-1-ylpyridin-3-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(N=CC=C1)N2CCCCC2)NC(=O)C3=COC=C3

DOS

IR

Vibrations