Geometry & MOs

Info

ID:	265555
PubChem CID:	103529722
Reduced:	ClSN3O3C13H20 (1)
Stoich.:	ABC3D3E13F20 (1)
Weight, g/mol:	243.162314
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	5.31
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-phenylprop-2-ynyl)piperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=C1)Cl)C(=O)NCCCNS(=O)(=O)C

DOS

IR

Vibrations