Geometry & MOs

Info

ID:	308747
PubChem CID:	126522443
Reduced:	FSN6H13C22 (1)
Stoich.:	ABC6D13E22 (1)
Weight, g/mol:	393.145042
ΔH_f, kcal/mol:	177.23
Dipole, Da:	5.74
IP(EA), eV:	-8.82(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-5-pyrazin-2-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations