Geometry & MOs

Info

ID:	221338
PubChem CID:	85267776
Reduced:	N2F3O5H13C19 (1)
Stoich.:	A2B3C5D13E19 (1)
Weight, g/mol:	326.215375
ΔH_f, kcal/mol:	-184.81
Dipole, Da:	5.92
IP(EA), eV:	-9.3(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methyl-(2-oxo-2-piperidin-1-ylethyl)sulfanium

Drug info:

PubChemData

Smile

C1C(OC(=N1)C=CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC4=C(C=C3)OCO4)C(F)(F)F

DOS

IR

Vibrations