Geometry & MOs

Info

ID:

312869

PubChem CID:

126609309

Reduced:

N4O4C19H19 (2)

Stoich.:

A4B4C19D19 (2)

Weight, g/mol:

399.253846

ΔHf, kcal/mol:

-148.65

Dipole, Da:

7.82

IP(EA), eV:

 -8.83(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,2-dimethylpropyl)-3-ethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(phosphanyloxymethyl)aniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C=C(N=N1)C2=CC(=C(C=C2)C(=O)C3=CC=CN3C4=C(NC=C4)C(=O)C5=C(C=C(C=C5)C6=CN(N=N6)CC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations