Geometry & MOs

Info

ID:	159800
PubChem CID:	57288763
Reduced:	O3C48H74 (1)
Stoich.:	A3B48C74 (1)
Weight, g/mol:	330.197714
ΔH_f, kcal/mol:	-190.16
Dipole, Da:	2.5
IP(EA), eV:	-8.4(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-3-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C2CCC(CC2)C(C3=CC=C(C=C3)OC)OC(C4CCC(CC4)C5CCC(CC5)CCCC)C6=CC=C(C=C6)OC

DOS

IR

Vibrations