Geometry & MOs

Info

ID:	50001
PubChem CID:	11538705
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	405.162332
ΔH_f, kcal/mol:	-144.38
Dipole, Da:	2.17
IP(EA), eV:	-8.52(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[6-[(4-methylpiperazin-1-yl)methyl]indol-2-ylidene]-6-thiophen-3-yl-1,2-dihydropyridazin-3-one

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)NC(=O)CC4CCC(CC4)O

DOS

IR

Vibrations