Geometry & MOs

Info

ID:

444228

PubChem CID:

135261807

Reduced:

NO3C19H29 (1)

Stoich.:

AB3C19D29 (1)

Weight, g/mol:

847.393644

ΔHf, kcal/mol:

-155.04

Dipole, Da:

1.22

IP(EA), eV:

 -8.25(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[4-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1(CCC2CNC(CC3=C2C1=COC3)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations