Geometry & MOs

Info

ID:

401274

PubChem CID:

135050766

Reduced:

N2O4H9C10 (1)

Stoich.:

A2B4C9D10 (1)

Weight, g/mol:

283.133907

ΔHf, kcal/mol:

-24.5

Dipole, Da:

7.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.004330

Charge, e:

 0

Chem-info

IUPAC name:

(1-chloro-2-hydroxy-1-phenyloctan-2-yl) methanimidate

Drug info:

PubChemData

Smile

C[N+]1=C(OC(=C1)O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations