Geometry & MOs

Info

ID:

448027

PubChem CID:

135287796

Reduced:

FON2C13H13 (2)

Stoich.:

ABC2D13E13 (2)

Weight, g/mol:

430.171751

ΔHf, kcal/mol:

-80.06

Dipole, Da:

5.73

IP(EA), eV:

 -9.6(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[6-(1,2,4-triazol-4-yl)pyridin-2-yl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC(CO)NC(=O)C1=NC(=CC=C1)[C@]23CC[C@H](C2(C)C)C4=CC(=NN=C34)C5=C(C=CC=C5F)F

DOS

IR

Vibrations