Geometry & MOs

Info

ID:

435357

PubChem CID:

135191280

Reduced:

ON7C19H21 (1)

Stoich.:

AB7C19D21 (1)

Weight, g/mol:

450.170117

ΔHf, kcal/mol:

103.84

Dipole, Da:

4.67

IP(EA), eV:

 -8.98(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C=C1/N=C(\N=C(CNC(=O)N1CC2=CC=CC=C2)N)/C3=NNC(=C3)C4CC4

DOS

IR

Vibrations