Geometry & MOs

Info

ID:	308731
PubChem CID:	126522427
Reduced:	FON6H17C25 (1)
Stoich.:	ABC6D17E25 (1)
Weight, g/mol:	390.134142
ΔH_f, kcal/mol:	133.83
Dipole, Da:	6.13
IP(EA), eV:	-8.72(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=CC=C6F)/NN3

DOS

IR

Vibrations