Geometry & MOs

Info

ID:

132526

PubChem CID:

51375018

Reduced:

N2O2C17H21 (1)

Stoich.:

A2B2C17D21 (1)

Weight, g/mol:

256.07387

ΔHf, kcal/mol:

-67.67

Dipole, Da:

1.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.269215

Charge, e:

 -1

Chem-info

IUPAC name:

[3-(3-methoxyanilino)-3-oxopropyl]-methylphosphinate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=O)C(=C2)C=[NH+]C3CCCCC3

DOS

IR

Vibrations