Geometry & MOs

Info

ID:

231498

PubChem CID:

87573925

Reduced:

N3O4F6H25C33 (1)

Stoich.:

A3B4C6D25E33 (1)

Weight, g/mol:

1194.364898

ΔHf, kcal/mol:

-335.43

Dipole, Da:

2.63

IP(EA), eV:

 -9.36(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[(3S,4S)-3-(4-chlorophenyl)-4-[(1S)-1-(3,4-dichlorophenoxy)ethyl]piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile;6-[4-[(3S,4S)-3-(4-chlorophenyl)-4-[(1S)-1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=NC=CC3=NC(=C(C=C32)C4=CC=CC=C4)C5=CC=C(C=C5)CN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations