Geometry & MOs

Info

ID:	407020
PubChem CID:	135079151
Reduced:	OPN2F6C13H19 (1)
Stoich.:	ABC2D6E13F19 (1)
Weight, g/mol:	392.145219
ΔH_f, kcal/mol:	-493.7
Dipole, Da:	15.37
IP(EA), eV:	-10.43(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-5-benzyl-2-tert-butyl-3-methylimidazolidin-1-ium-4-one;hexafluorophosphate

Drug info:

PubChemData

Smile

CC1([NH2+][C@H](C(=O)N1C)CC2=CC=CC=C2)C.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations