Geometry & MOs

Info

ID:

58992

PubChem CID:

24770180

Reduced:

N2O3C9H9 (1)

Stoich.:

A2B3C9D9 (1)

Weight, g/mol:

224.068473

ΔHf, kcal/mol:

-1.54

Dipole, Da:

6.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.581579

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-formyl-4,6-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=C/C(=C\N[O-])/C(=O)C(=C1)/C=N/O

DOS

IR

Vibrations