Geometry & MOs

Info

ID:	390728
PubChem CID:	135000599
Reduced:	OSF3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	344.29534
ΔH_f, kcal/mol:	-196.54
Dipole, Da:	5.02
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-2-pentadecyl-1,3-benzoxazol-3-ium

Drug info:

PubChemData

Smile

CCC[C@H]1C=C([C@@H](S1)COC2=CC=C(C=C2)C(F)(F)F)C

DOS

IR

Vibrations