Geometry & MOs

Info

ID:	37655
PubChem CID:	8022866
Reduced:	N4O5C20H22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	335.17193
ΔH_f, kcal/mol:	-137.52
Dipole, Da:	8.32
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,4-dihydroxy-N-[(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations