Geometry & MOs

Info

ID:	444153
PubChem CID:	135261493
Reduced:	FON7H22C29 (1)
Stoich.:	ABC7D22E29 (1)
Weight, g/mol:	424.147016
ΔH_f, kcal/mol:	126.39
Dipole, Da:	11.4
IP(EA), eV:	-8.67(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC(=CC=C7)F)/NN4

DOS

IR

Vibrations