Geometry & MOs

Info

ID:	412450
PubChem CID:	135085345
Reduced:	BON3F4H16C18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	345.163555
ΔH_f, kcal/mol:	-285.54
Dipole, Da:	11.13
IP(EA), eV:	-9.48(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

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;tetrafluoroborate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations