Geometry & MOs

Info

ID:	412451
PubChem CID:	135085346
Reduced:	BON3F4C15H20 (1)
Stoich.:	ABC3D4E15F20 (1)
Weight, g/mol:	258.160637
ΔH_f, kcal/mol:	-325.46
Dipole, Da:	13.91
IP(EA), eV:	-9.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-6,6-dimethyl-2-phenyl-5-propan-2-yl-5H-[1,3]oxazolo[2,3-c][1,2,4]triazol-4-ium

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC(C)[C@@H]1C(OC2=NN(C=[N+]12)C3=CC=CC=C3)(C)C

DOS

IR

Vibrations