Geometry & MOs

Info

ID:	57581
PubChem CID:	22425559
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	4.44
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)N2C(=N1)C(=C(N2)NC3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations