Geometry & MOs

Info

ID:

391816

PubChem CID:

135009821

Reduced:

BrN3O4C16H17 (1)

Stoich.:

AB3C4D16E17 (1)

Weight, g/mol:

464.184125

ΔHf, kcal/mol:

-71.4

Dipole, Da:

2.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.859736

Charge, e:

 0

Chem-info

IUPAC name:

N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide

Drug info:

PubChemData

Smile

CCO/C(=C(/C1C(=CC2=CC=CC=C2N1C(=O)OCC)Br)\[N+]#N)/O

DOS

IR

Vibrations