Geometry & MOs

Info

ID:	336829
PubChem CID:	127255836
Reduced:	BOCl3N3F4H13C18 (1)
Stoich.:	ABC3D3E4F13G18 (1)
Weight, g/mol:	374.989123
ΔH_f, kcal/mol:	-309.78
Dipole, Da:	13.44
IP(EA), eV:	-10.1(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,6-trichlorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C1[C@H]2[C@@H](C3=CC=CC=C31)[N+]4=CN(N=C4CO2)C5=C(C=C(C=C5Cl)Cl)Cl

DOS

IR

Vibrations