Geometry & MOs

Info

ID:

449337

PubChem CID:

135297760

Reduced:

OF2N7C27H27 (1)

Stoich.:

AB2C7D27E27 (1)

Weight, g/mol:

430.171751

ΔHf, kcal/mol:

2.89

Dipole, Da:

5.36

IP(EA), eV:

 -9.35(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[6-(1H-pyrazol-5-yl)pyrazin-2-yl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

CCC1C2=CC(=NN=C2[C@](C1(C)C)(C)C3=NC(=CN=C3)C4=CN(N=C4)CC(=O)N)C5=C(C=CC=C5F)F

DOS

IR

Vibrations