Geometry & MOs

Info

ID:	308852
PubChem CID:	126522930
Reduced:	N3H8C12 (2)
Stoich.:	A3B8C12 (2)
Weight, g/mol:	511.180839
ΔH_f, kcal/mol:	214.09
Dipole, Da:	7.18
IP(EA), eV:	-8.65(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-(3-fluorophenyl)-2-[5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC=NC=C6)NN4)/C=C23

DOS

IR

Vibrations