Geometry & MOs

Info

ID:	82875
PubChem CID:	49856732
Reduced:	O3C26H44 (1)
Stoich.:	A3B26C44 (1)
Weight, g/mol:	462.06095
ΔH_f, kcal/mol:	-198.84
Dipole, Da:	1.21
IP(EA), eV:	-8.72(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-hydroxybutyl]-triphenylphosphanium;iodide

Drug info:

PubChemData

Smile

CC1[C@@H](CC(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@H](C)CCC[C@@H](C)O)C)C[C@H]1O)O

DOS

IR

Vibrations