Geometry & MOs

Info

ID:	444083
PubChem CID:	135261294
Reduced:	OSF3N4H9C15 (1)
Stoich.:	ABC3D4E9F15 (1)
Weight, g/mol:	411.126615
ΔH_f, kcal/mol:	-77.57
Dipole, Da:	5.71
IP(EA), eV:	-9.21(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NSC(=N2)NC(=O)C3=C(N=CC=C3)C(F)(F)F

DOS

IR

Vibrations