Geometry & MOs

Info

ID:	308838
PubChem CID:	126522870
Reduced:	OSN6H24C28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	423.115381
ΔH_f, kcal/mol:	158.07
Dipole, Da:	2.8
IP(EA), eV:	-8.61(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[5-(5-methoxypyridin-3-yl)-1,2-dihydroindazol-3-ylidene]-4-thiophen-3-ylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC=C(S6)C(=O)C

DOS

IR

Vibrations