Geometry & MOs

Info

ID:

449327

PubChem CID:

135297643

Reduced:

FN3H10C12 (2)

Stoich.:

AB3C10D12 (2)

Weight, g/mol:

449.166331

ΔHf, kcal/mol:

70.56

Dipole, Da:

8.16

IP(EA), eV:

 -9.54(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(1R,8S)-5-(2,6-difluorophenyl)-11-methylidene-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]-N-[(2R)-2-hydroxypropyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1([C@H]2CCC1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=NC=C5)C6=CC=NN6)C

DOS

IR

Vibrations