Geometry & MOs

Info

ID:	308783
PubChem CID:	126522672
Reduced:	FON6H25C29 (1)
Stoich.:	ABC6D25E29 (1)
Weight, g/mol:	423.115381
ΔH_f, kcal/mol:	118.35
Dipole, Da:	7.52
IP(EA), eV:	-8.48(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC=CC=C6F

DOS

IR

Vibrations