Geometry & MOs

Info

ID:	125247
PubChem CID:	50916746
Reduced:	O6C11H14 (1)
Stoich.:	A6B11C14 (1)
Weight, g/mol:	315.978392
ΔH_f, kcal/mol:	-245.5
Dipole, Da:	4.91
IP(EA), eV:	-11.04(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(trifluoromethyl)-1-benzothiophen-1-ium;perchlorate

Drug info:

PubChemData

Smile

C[C@]12CCC([C@H]1C(=O)O2)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations