Geometry & MOs

Info

ID:	218651
PubChem CID:	85089757
Reduced:	O6C29H46 (1)
Stoich.:	A6B29C46 (1)
Weight, g/mol:	491.07531
ΔH_f, kcal/mol:	-350.49
Dipole, Da:	7.89
IP(EA), eV:	-9.86(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-[[2-methyl-1-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane;iodide

Drug info:

PubChemData

Smile

CC1C2C(CC3C2(CCC4C3C(=O)CC5C4(CCC(C5)O)C)C)OC16CC(C(O6)(C)O)(C(C)C)O

DOS

IR

Vibrations