Geometry & MOs

Info

ID:

444410

PubChem CID:

135262330

Reduced:

O2N7C24H27 (1)

Stoich.:

A2B7C24D27 (1)

Weight, g/mol:

794.367095

ΔHf, kcal/mol:

61.22

Dipole, Da:

2.06

IP(EA), eV:

 -8.77(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[1-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)OCCCN5CCOCC5

DOS

IR

Vibrations