Geometry & MOs

Info

ID:	343908
PubChem CID:	127267084
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	313.0136
ΔH_f, kcal/mol:	29.5
Dipole, Da:	3.79
IP(EA), eV:	-7.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-bromophenyl)sulfanylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(CC2)NCC=CC3=CC=CC=N3

DOS

IR

Vibrations