Geometry & MOs

Info

ID:	231096
PubChem CID:	87572633
Reduced:	N2F3O9C26H33 (1)
Stoich.:	A2B3C9D26E33 (1)
Weight, g/mol:	359.277559
ΔH_f, kcal/mol:	-504.32
Dipole, Da:	2.97
IP(EA), eV:	-9.13(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trihexyl(methyl)phosphanium;thiocyanate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)OCC)O)O)O)O)C4CCC4)C(F)(F)F

DOS

IR

Vibrations