Geometry & MOs

Info

ID:	308824
PubChem CID:	126522810
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	492.173231
ΔH_f, kcal/mol:	-158.28
Dipole, Da:	10.26
IP(EA), eV:	-8.25(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydroindazol-3-ylidene]-4-thiophen-3-ylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2[C@@H]3CCC[C@@H](C3)NC(=O)C4CCCN4C(=O)O

DOS

IR

Vibrations