Geometry & MOs

Info

ID:

424834

PubChem CID:

135124140

Reduced:

SO5N6C33H44 (1)

Stoich.:

AB5C6D33E44 (1)

Weight, g/mol:

548.278741

ΔHf, kcal/mol:

-118.97

Dipole, Da:

7.91

IP(EA), eV:

 -8.71(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-[(4-methoxyphenyl)methyl]-7'-(1-methylpiperidin-4-yl)oxy-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CCC1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)C(CC(=O)NCCOCC)C4=C(C5=C(C=C4)N(N=N5)CC)C)C

DOS

IR

Vibrations