Geometry & MOs

Info

ID:	54440
PubChem CID:	17388682
Reduced:	NaN2O6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	344.100836
ΔH_f, kcal/mol:	-173.9
Dipole, Da:	11.32
IP(EA), eV:	-7.95(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-3-nitrophenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(C(=O)[O-])N/C=C\2/C=CC=CC2=O)[N+](=O)[O-].[Na+]

DOS

IR

Vibrations