Geometry & MOs

Info

ID:	3433
PubChem CID:	9652
Reduced:	INOSC16H22 (1)
Stoich.:	ABCDE16F22 (1)
Weight, g/mol:	403.04668
ΔH_f, kcal/mol:	7.29
Dipole, Da:	15.79
IP(EA), eV:	-7.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-3-phenyl-3-thiophen-2-ylpropyl)-trimethylazanium;iodide

Drug info:

PubChemData

Smile

C[N+](C)(C)CCC(C1=CC=CC=C1)(C2=CC=CS2)O.[I-]

DOS

IR

Vibrations