Geometry & MOs

Info

ID:	24193
PubChem CID:	608391
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-23.26
Dipole, Da:	2.34
IP(EA), eV:	-8.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-1H-pyridazine-3,6-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C=CC(=O)N2

DOS

IR

Vibrations