Geometry & MOs

Info

ID:	449505
PubChem CID:	135299145
Reduced:	N2O3C9H9 (2)
Stoich.:	A2B3C9D9 (2)
Weight, g/mol:	238.095357
ΔH_f, kcal/mol:	-124.74
Dipole, Da:	4.48
IP(EA), eV:	-8.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E)-2-(3-hydroxypropylidene)hydrazinyl]-5-methoxybenzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N/N=C/C=N/NC2=C(C=C(C=C2)OC)C(=O)O)C(=O)O

DOS

IR

Vibrations