Geometry & MOs

Info

ID:

146958

PubChem CID:

53776777

Reduced:

N2O4C19H21 (1)

Stoich.:

A2B4C19D21 (1)

Weight, g/mol:

226.058971

ΔHf, kcal/mol:

-88.47

Dipole, Da:

3.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.106767

Charge, e:

 0

Chem-info

IUPAC name:

methylamino 2-methoxy-5-nitrobenzoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)[N+](=C=O)N3CCOCC3

DOS

IR

Vibrations