Geometry & MOs

Info

ID:	11777
PubChem CID:	120904
Reduced:	ClNOSC18H20 (1)
Stoich.:	ABCDE18F20 (1)
Weight, g/mol:	333.095413
ΔH_f, kcal/mol:	24.91
Dipole, Da:	3.94
IP(EA), eV:	-8.93(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylbut-2-yn-1-ol;hydrochloride

Drug info:

PubChemData

Smile

C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=CS3)O.Cl

DOS

IR

Vibrations