Geometry & MOs

Info

ID:	412249
PubChem CID:	135085133
Reduced:	PC24H39 (1)
Stoich.:	AB24C39 (1)
Weight, g/mol:	393.163555
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	1.52
IP(EA), eV:	-8.2(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-benzyl-6,6-dimethyl-2-phenyl-5H-[1,3]oxazolo[2,3-c][1,2,4]triazol-4-ium;tetrafluoroborate

Drug info:

PubChemData

Smile

C[C@H]1C[P@@]([C@H]2[C@@H]1CCC2(C)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations