Geometry & MOs

Info

ID:

188064

PubChem CID:

77663425

Reduced:

O4N5C22H27 (1)

Stoich.:

A4B5C22D27 (1)

Weight, g/mol:

699.223545

ΔHf, kcal/mol:

-69.45

Dipole, Da:

13.71

IP(EA), eV:

 -8.79(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[[[1-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-phenylpiperidin-4-yl]amino]methyl]-4-(trifluoromethoxy)phenyl]-3-fluorobenzonitrile;hydrochloride

Drug info:

PubChemData

Smile

CC(=NC1=CC=CC(=C1)CNCC2=NC(=O)C3=C(N2)C=C(C(C3=O)OC)OC)N(C)C

DOS

IR

Vibrations