Geometry & MOs

Info

ID:	309042
PubChem CID:	126535319
Reduced:	ClSN8H11C19 (1)
Stoich.:	ABC8D11E19 (1)
Weight, g/mol:	516.238608
ΔH_f, kcal/mol:	246.03
Dipole, Da:	10.13
IP(EA), eV:	-8.53(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-7-(3-methoxyphenyl)-2-[5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1=CC(=NC\2=C1NN/C2=C\3/N=C4C(=CC=NC4=N3)C5=CC=C(S5)Cl)C6=CNN=C6

DOS

IR

Vibrations