Geometry & MOs

Info

ID:	308768
PubChem CID:	126522464
Reduced:	SO4N10C23H34 (1)
Stoich.:	AB4C10D23E34 (1)
Weight, g/mol:	419.149458
ΔH_f, kcal/mol:	-126.35
Dipole, Da:	7.66
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-(5-methoxypyridin-3-yl)-3-(4-pyridin-4-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CCCCCN1C2=C(N=C1SCCCN3C4=C(N=C3NCCCN)N(C(=O)NC4=O)C)N(C(=O)NC2=O)C

DOS

IR

Vibrations