Geometry & MOs

Info

ID:	26842
PubChem CID:	799508
Reduced:	BrFNOH13C16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-32.56
Dipole, Da:	5.0
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-(4-chlorophenyl)-2-ethyl-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium

Drug info:

PubChemData

Smile

C/C(=C/C(=O)C1=CC=C(C=C1)Br)/NC2=CC(=CC=C2)F

DOS

IR

Vibrations