Geometry & MOs

Info

ID:

297385

PubChem CID:

117616594

Reduced:

ClON6C22H23 (1)

Stoich.:

ABC6D22E23 (1)

Weight, g/mol:

520.19091

ΔHf, kcal/mol:

87.01

Dipole, Da:

6.47

IP(EA), eV:

 -8.99(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5-bis(trifluoromethyl)phenyl]methyl 2-[1-(4-hydroxypiperidin-1-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Drug info:

PubChemData

Smile

C1CN(C1)[C@@H]2CC[C@@H]([C@H](C2)C#N)N3C4=CC=NC(=O)C4=C(N3)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations