Geometry & MOs

Info

ID:	308685
PubChem CID:	126522381
Reduced:	O7C25H28 (1)
Stoich.:	A7B25C28 (1)
Weight, g/mol:	521.197551
ΔH_f, kcal/mol:	-213.11
Dipole, Da:	2.92
IP(EA), eV:	-8.34(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(2E)-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]phenol

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C(=C)C)OCCOC

DOS

IR

Vibrations