Geometry & MOs

Info

ID:

442314

PubChem CID:

135251294

Reduced:

O5N8H22C23 (1)

Stoich.:

A5B8C22D23 (1)

Weight, g/mol:

501.188684

ΔHf, kcal/mol:

-31.59

Dipole, Da:

6.3

IP(EA), eV:

 -8.36(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC3=C(O2)C=C(C(=N3)N4CC=C(C4)O)NC(=O)C5=COC(=N5)C6=NC(=CC=C6)N

DOS

IR

Vibrations