Geometry & MOs

Info

ID:

227771

PubChem CID:

87562446

Reduced:

BrN3O3C17H20 (1)

Stoich.:

AB3C3D17E20 (1)

Weight, g/mol:

638.393605

ΔHf, kcal/mol:

-76.97

Dipole, Da:

4.53

IP(EA), eV:

 -9.08(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[(3E)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide;3-[[(3E)-3-amino-3-hydroxyiminopropyl]-[2-[bis[(3E)-3-amino-3-hydroxyiminopropyl]amino]ethyl]amino]-N'-hydroxypropanimidamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC(=NC(=N1)NCC2=CC=C(C=C2)OC)Br

DOS

IR

Vibrations