Geometry & MOs

Info

ID:	309889
PubChem CID:	126565182
Reduced:	O2N3S3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	507.274659
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	4.66
IP(EA), eV:	-9.25(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(4-methylpiperazin-1-yl)indol-2-ylidene]-5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydroindazole

Drug info:

PubChemData

Smile

CCC(C1=CC=CS1)N2C(=O)C3(N(C(=O)C2(SS3)CCC#N)C)C

DOS

IR

Vibrations