Geometry & MOs

Info

ID:

449324

PubChem CID:

135297622

Reduced:

OF3N7H20C24 (1)

Stoich.:

AB3C7D20E24 (1)

Weight, g/mol:

451.181981

ΔHf, kcal/mol:

-17.62

Dipole, Da:

3.48

IP(EA), eV:

 -9.67(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NN1)C2=NC=C(C(=N2)C34CCC(CC3)C5=CC(=NN=C45)C6=C(C=CC=C6F)F)F)O

DOS

IR

Vibrations