Geometry & MOs

Info

ID:

391226

PubChem CID:

135003659

Reduced:

BNO2F3C16H24 (1)

Stoich.:

ABC2D3E16F24 (1)

Weight, g/mol:

337.122855

ΔHf, kcal/mol:

-321.26

Dipole, Da:

14.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771366

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-](CC(C(C)C)C(=O)N(C)[C@@H](C)[C@H](C1=CC=CC=C1)O)(F)(F)F

DOS

IR

Vibrations