Geometry & MOs

Info

ID:

433346

PubChem CID:

135173483

Reduced:

O2N8C27H52 (1)

Stoich.:

A2B8C27D52 (1)

Weight, g/mol:

673.20122

ΔHf, kcal/mol:

-104.78

Dipole, Da:

2.78

IP(EA), eV:

 -8.16(0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[4-[4-[[(E)-3-amino-2-bromo-3-pyridin-4-ylprop-2-enylidene]amino]phenyl]piperazin-1-yl]butoxy]-1,3-dioxoisoindol-2-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CNC(=O)CN1CCC(C(C1)C2CC(CCN2CC(=O)NC)N3CCN(CC3)C)CN4CCN(CC4)C

DOS

IR

Vibrations