Geometry & MOs

Info

ID:	449379
PubChem CID:	135298127
Reduced:	ClFO3N4C28H28 (1)
Stoich.:	ABC3D4E28F28 (1)
Weight, g/mol:	507.159266
ΔH_f, kcal/mol:	-62.84
Dipole, Da:	3.76
IP(EA), eV:	-8.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3,5-dichloropyridin-4-yl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridin-3-yl]ethenyl]-1H-indazole

Drug info:

PubChemData

Smile

CC1=CN=CC(=C1[C@@H](C)OC2=CC3=C(NN=C3C=C2)/C=C(/C4=CN=C(C=C4)OCC5CCOCC5)\F)Cl

DOS

IR

Vibrations