Geometry & MOs

Info

ID:

435361

PubChem CID:

135191284

Reduced:

O2F3N4C20H23 (1)

Stoich.:

A2B3C4D20E23 (1)

Weight, g/mol:

418.125275

ΔHf, kcal/mol:

-184.01

Dipole, Da:

4.29

IP(EA), eV:

 -9.54(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(3aS,6aR)-5-[2-(trifluoromethyl)cyclohexa-1,5-dien-3-yn-1-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=C(C=C1)C2C[C@@H]3CN(C[C@@H]3C2)C(=O)C4=NN=C5N4CCOC5)C(F)(F)F

DOS

IR

Vibrations