Geometry & MOs

Info

ID:

448028

PubChem CID:

135287802

Reduced:

FN3H10C12 (2)

Stoich.:

AB3C10D12 (2)

Weight, g/mol:

487.193215

ΔHf, kcal/mol:

75.71

Dipole, Da:

10.61

IP(EA), eV:

 -9.91(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[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]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=CC=C5)N6C=NN=C6)C

DOS

IR

Vibrations