Geometry & MOs

Info

ID:	54439
PubChem CID:	17388681
Reduced:	ClN2O5C10H13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	366.08278
ΔH_f, kcal/mol:	-146.8
Dipole, Da:	7.53
IP(EA), eV:	-9.9(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-(4-methoxy-3-nitrophenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(C(=O)O)N)[N+](=O)[O-].Cl

DOS

IR

Vibrations