Geometry & MOs

Info

ID:

433421

PubChem CID:

135173558

Reduced:

O2N6C25H42 (1)

Stoich.:

A2B6C25D42 (1)

Weight, g/mol:

780.338381

ΔHf, kcal/mol:

6.39

Dipole, Da:

3.26

IP(EA), eV:

 -8.48(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[4-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]butoxy]-1,3-dioxoisoindol-2-yl]acetyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CCCCN2CCN(CC2)CCC3=CC(=NO3)CCCN4CCN(CC4)C

DOS

IR

Vibrations