Geometry & MOs

Info

ID:

442069

PubChem CID:

135249024

Reduced:

OF3C25H25 (2)

Stoich.:

AB3C25D25 (2)

Weight, g/mol:

613.362805

ΔHf, kcal/mol:

-292.41

Dipole, Da:

3.48

IP(EA), eV:

 -9.07(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[[2-(hydroxymethyl)piperazin-1-yl]methyl]phenyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C4O3)C5=C(C6=C2OC7=CC=CC=C76)C(C(C5(F)F)(F)F)(F)F)C8=CC=C(C=C8)CCCCCCCC

DOS

IR

Vibrations