Geometry & MOs

Info

ID:	444316
PubChem CID:	135262064
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	504.209616
ΔH_f, kcal/mol:	-54.37
Dipole, Da:	2.96
IP(EA), eV:	-8.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=NC(=NO1)N2CCN(CC2)CC3COC4=CC=CC=C4O3

DOS

IR

Vibrations