Geometry & MOs

Info

ID:	159034
PubChem CID:	57244617
Reduced:	ON2C33H34 (1)
Stoich.:	AB2C33D34 (1)
Weight, g/mol:	471.17493
ΔH_f, kcal/mol:	56.45
Dipole, Da:	2.34
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(2-methylsulfonylethyl)-2-(2-piperidin-1-ylethyl)-2H-chromen-4-one

Drug info:

PubChemData

Smile

C=CCC1(C2=CC=CC=C2C3=CC=CC=C31)CC=CCN4CCC(CC4)N5CC6=CC=CC=C6C5=O

DOS

IR

Vibrations