Geometry & MOs

Info

ID:

388620

PubChem CID:

134989672

Reduced:

NOC10H10 (1)

Stoich.:

ABC10D10 (1)

Weight, g/mol:

265.035578

ΔHf, kcal/mol:

2.17

Dipole, Da:

1.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.002764

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-5-phenyl-1,4,2-oxathiazol-1-ium;tetrafluoroborate

Drug info:

PubChemData

Smile

CC1=C[N+]2=CC=CC=C2C(=C1)O

DOS

IR

Vibrations