Geometry & MOs

Info

ID:	308787
PubChem CID:	126522678
Reduced:	SN5H19C23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	406.165443
ΔH_f, kcal/mol:	183.34
Dipole, Da:	6.18
IP(EA), eV:	-8.47(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCC=C1C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CSC=C6

DOS

IR

Vibrations