Geometry & MOs

Info

ID:	132523
PubChem CID:	51374633
Reduced:	FN2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	319.161052
ΔH_f, kcal/mol:	38.7
Dipole, Da:	7.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.475172
Charge, e:	1

Chem-info

IUPAC name:

2-[(1R)-cyclohex-3-en-1-yl]-5-(4-fluorophenyl)-4-phenyl-1H-imidazol-3-ium

Drug info:

PubChemData

Smile

C1C[C@@H](CC=C1)C2=[NH+]C(=C(N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations