Geometry & MOs

Info

ID:	188319
PubChem CID:	77699876
Reduced:	ClSO2N6C23H27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-22.96
Dipole, Da:	5.28
IP(EA), eV:	-8.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-ethoxyphenyl)-5,7-dimethyl-1-methylidenepyrrolo[3,4-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)N2CCN(C(C2)Cl)CC3=CC4=C(N=C3)N5CCSCC5C(=O)N4

DOS

IR

Vibrations