Geometry & MOs

Info

ID:

424741

PubChem CID:

135123762

Reduced:

O2F3N4C35H41 (1)

Stoich.:

A2B3C4D35E41 (1)

Weight, g/mol:

616.266125

ΔHf, kcal/mol:

-170.83

Dipole, Da:

6.04

IP(EA), eV:

 -8.75(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)-7'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyspiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC[C@H]1CC2=C(CN(C1)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)O)C)C(=CC=C2)C(F)(F)F

DOS

IR

Vibrations