Geometry & MOs

Info

ID:	308803
PubChem CID:	126522740
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	392.174945
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	4.68
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-pyridin-3-yl-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1CC(CC(C1)N)C2=CNC3=CCC(=O)C=C32

DOS

IR

Vibrations