Geometry & MOs

Info

ID:

296878

PubChem CID:

117598603

Reduced:

N3O4C20H24 (2)

Stoich.:

A3B4C20D24 (2)

Weight, g/mol:

570.259068

ΔHf, kcal/mol:

-212.91

Dipole, Da:

5.83

IP(EA), eV:

 -8.42(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[3-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]anilino]pyridin-4-yl]oxynaphthalen-1-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=C(C=C1)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)NC5=CC(=CC(=C5)OCCOCCOCCOC)OC)OC)N

DOS

IR

Vibrations