Geometry & MOs

Info

ID:	308776
PubChem CID:	126522482
Reduced:	OSN6H26C29 (1)
Stoich.:	ABC6D26E29 (1)
Weight, g/mol:	394.190595
ΔH_f, kcal/mol:	134.71
Dipole, Da:	7.43
IP(EA), eV:	-8.57(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC=CS6

DOS

IR

Vibrations