Geometry & MOs

Info

ID:

297383

PubChem CID:

117616534

Reduced:

O4N5F6C29H35 (1)

Stoich.:

A4B5C6D29E35 (1)

Weight, g/mol:

531.170509

ΔHf, kcal/mol:

-457.32

Dipole, Da:

1.52

IP(EA), eV:

 -8.47(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5-bis(trifluoromethyl)phenyl]methyl 2-(3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NN2CCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC5CCC(C4)N5C(=O)OC(C)(C)C

DOS

IR

Vibrations