Geometry & MOs

Info

ID:	7317
PubChem CID:	72142
Reduced:	INSO2C18H24 (1)
Stoich.:	ABCD2E18F24 (1)
Weight, g/mol:	445.05725
ΔH_f, kcal/mol:	-29.95
Dipole, Da:	12.77
IP(EA), eV:	-7.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;iodide

Drug info:

PubChemData

Smile

C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.[I-]

DOS

IR

Vibrations