Geometry & MOs

Info

ID:

439456

PubChem CID:

135229230

Reduced:

ClN6H37C49 (1)

Stoich.:

AB6C37D49 (1)

Weight, g/mol:

429.20459

ΔHf, kcal/mol:

253.3

Dipole, Da:

2.6

IP(EA), eV:

 -8.53(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[2-[2-[2-(3-azidopropoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-2-ethylsulfanylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC=N2)C=C1)N=C(C)C3=CC(=CC(=C3)C4=NC5=C(C=CC6=C5N=C(CC6)/C(=C/C=C\C(=C)C7=NC8=C(C=CC9=C8N=CC=C9)C=C7)/C)C=C4)Cl

DOS

IR

Vibrations