Geometry & MOs

Info

ID:	308790
PubChem CID:	126522684
Reduced:	ON7H23C28 (1)
Stoich.:	AB7C23D28 (1)
Weight, g/mol:	400.237545
ΔH_f, kcal/mol:	154.65
Dipole, Da:	5.69
IP(EA), eV:	-8.63(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CN=CC=C6

DOS

IR

Vibrations