Geometry & MOs

Info

ID:	40183
PubChem CID:	8143705
Reduced:	BrNF4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	309.09407
ΔH_f, kcal/mol:	-153.38
Dipole, Da:	3.79
IP(EA), eV:	-8.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-chlorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C(=C(C(=C2F)F)Br)F)F

DOS

IR

Vibrations