Geometry & MOs

Info

ID:

219104

PubChem CID:

85090529

Reduced:

S2N6O9C20H24 (1)

Stoich.:

A2B6C9D20E24 (1)

Weight, g/mol:

556.262103

ΔHf, kcal/mol:

-225.33

Dipole, Da:

3.59

IP(EA), eV:

 -9.18(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methylpiperazin-1-yl)-3-[2-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-3-yl]oxyethoxy]pyrazine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NO)C3=CSC(=N3)N)COC(=O)N

DOS

IR

Vibrations