Geometry & MOs

Info

ID:

448006

PubChem CID:

135287535

Reduced:

FN3H10C12 (2)

Stoich.:

AB3C10D12 (2)

Weight, g/mol:

543.169366

ΔHf, kcal/mol:

69.93

Dipole, Da:

7.56

IP(EA), eV:

 -9.34(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[6-[(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=NC=C5)C6=CNN=C6)C

DOS

IR

Vibrations