Geometry & MOs

Info

ID:

449169

PubChem CID:

135296525

Reduced:

O2N3C20H26 (2)

Stoich.:

A2B3C20D26 (2)

Weight, g/mol:

554.227768

ΔHf, kcal/mol:

-71.6

Dipole, Da:

5.97

IP(EA), eV:

 -8.55(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[5-[4-(5-formylpyridin-2-yl)piperazin-1-yl]pentoxy]-1,3-dioxoisoindol-2-yl]-6-methoxypyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C=O)N(C)C(=C)C2=C(C=C(C=C2)OCCCCCN3CCN(CC3)C4=NC=C(C=C4)C(=O)NC5C(CC5(C)C)(C)C)C=O

DOS

IR

Vibrations