Geometry & MOs

Info

ID:	446964
PubChem CID:	135279150
Reduced:	OSF2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	254.24839
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	3.7
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxyethyl-dimethyl-(1,3,7-trimethyl-3-bicyclo[3.3.1]nonanyl)azanium

Drug info:

PubChemData

Smile

CCSOC1=C(C=C(C=C1)F)F

DOS

IR

Vibrations