Geometry & MOs

Info

ID:	308933
PubChem CID:	126531905
Reduced:	BrClF2N2H12C17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	411.126615
ΔH_f, kcal/mol:	-23.57
Dipole, Da:	3.33
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1F)NC2=C3C(=NC=C2Cl)C=CC(=C3F)Br

DOS

IR

Vibrations