Geometry & MOs

Info

ID:

375684

PubChem CID:

134220789

Reduced:

N2F3O6C46H59 (1)

Stoich.:

A2B3C6D46E59 (1)

Weight, g/mol:

488.217203

ΔHf, kcal/mol:

-322.98

Dipole, Da:

6.54

IP(EA), eV:

 -9.18(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2E,3Z)-5-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]-2-propylidenehexa-3,5-dienoate

Drug info:

PubChemData

Smile

CCC(C)(CC(C)(CC)COCC(C(C(C(OCC1=CC=CC=C1)OC(=NC2=CC=CC=C2)C(F)(F)F)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC)CN

DOS

IR

Vibrations