Geometry & MOs

Info

ID:

425032

PubChem CID:

135124917

Reduced:

F2N3O6H35C37 (1)

Stoich.:

A2B3C6D35E37 (1)

Weight, g/mol:

429.216475

ΔHf, kcal/mol:

-155.76

Dipole, Da:

6.88

IP(EA), eV:

 -8.36(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(1-methylpiperidin-4-yl)oxy-5-(1-pyridin-4-ylpyrazol-3-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC(=CC3=C2N(C(=O)C34CCC4)CC5=CC=C(C=C5)OC)C6=C(C=CC(=C6)[N+](=O)[O-])OC7=C(C=C(C=C7)F)F

DOS

IR

Vibrations