Geometry & MOs

Info

ID:	201970
PubChem CID:	79610669
Reduced:	SO2N3C15H31 (1)
Stoich.:	AB2C3D15E31 (1)
Weight, g/mol:	300.150764
ΔH_f, kcal/mol:	-111.48
Dipole, Da:	6.32
IP(EA), eV:	-8.5(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(CN1CCCCC1)NCC2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations