Geometry & MOs

Info

ID:	308891
PubChem CID:	126531794
Reduced:	ON6H14C22 (1)
Stoich.:	AB6C14D22 (1)
Weight, g/mol:	424.11063
ΔH_f, kcal/mol:	189.67
Dipole, Da:	5.86
IP(EA), eV:	-8.61(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3E)-3-[4-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=COC=C6

DOS

IR

Vibrations