Geometry & MOs

Info

ID:	229288
PubChem CID:	87567333
Reduced:	SN3F6O6H20C29 (1)
Stoich.:	AB3C6D6E20F29 (1)
Weight, g/mol:	212.093661
ΔH_f, kcal/mol:	-273.33
Dipole, Da:	5.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.080985
Charge, e:	0

Chem-info

IUPAC name:

1-propyl-3-(1,1,2,2-tetrafluoroethyl)-2H-imidazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]2C(=O)N(C(=O)[N+]2(CC3=CC=NC4=CC=CC=C34)OC(=O)C(F)(F)F)C5=CC=C(C=C5)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations