Geometry & MOs

Info

ID:

178864

PubChem CID:

76392794

Reduced:

Cl2N4O4C26H39 (2)

Stoich.:

A2B4C4D26E39 (2)

Weight, g/mol:

327.169525

ΔHf, kcal/mol:

-406.6

Dipole, Da:

3.27

IP(EA), eV:

 -8.6(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-methylpiperazin-1-yl)-(6-methyl-2-pyridin-3-yloxypyridin-3-yl)methylidene]hydroxylamine

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1=O)CCOC(=O)C(CC2=CC=C(C=C2)N(CCCl)CCCl)N)NCCCCCCCCCCCCCCNC3CC(=O)N(C3=O)CCOC(=O)C(CC4=CC=C(C=C4)N(CCCl)CCCl)N

DOS

IR

Vibrations