Geometry & MOs

Info

ID:	308834
PubChem CID:	126522857
Reduced:	FON6H27C30 (1)
Stoich.:	ABC6D27E30 (1)
Weight, g/mol:	407.120467
ΔH_f, kcal/mol:	102.83
Dipole, Da:	6.43
IP(EA), eV:	-8.53(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)F)OCCN(C)C

DOS

IR

Vibrations