Geometry & MOs

Info

ID:	128826
PubChem CID:	51059989
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	438.19032
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	4.02
IP(EA), eV:	-9.97(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(E)-(3-hydroxy-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-(4-pentoxyphenyl)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NN=C1CC(=O)NN)C

DOS

IR

Vibrations