Geometry & MOs

Info

ID:	447870
PubChem CID:	135286466
Reduced:	OSN8C19H20 (1)
Stoich.:	ABC8D19E20 (1)
Weight, g/mol:	466.155352
ΔH_f, kcal/mol:	93.75
Dipole, Da:	5.36
IP(EA), eV:	-8.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-(5-methoxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)C2=NC(=NC=C2C#N)NC3=NC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations