Geometry & MOs

Info

ID:	44550
PubChem CID:	10504019
Reduced:	SiO4C26H52 (1)
Stoich.:	AB4C26D52 (1)
Weight, g/mol:	456.93996
ΔH_f, kcal/mol:	-317.43
Dipole, Da:	1.24
IP(EA), eV:	-8.99(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-2-ethyl-5-(iodomethyl)-4,5-dihydro-1,3-oxazol-3-ium;iodide

Drug info:

PubChemData

Smile

CC[Si](CC)(C(C)C)O[C@@H](CC[C@H](C)CCCCC(=O)OC(C)(C)C)C[C@H](CC=C)O

DOS

IR

Vibrations