Geometry & MOs

Info

ID:	227694
PubChem CID:	87562247
Reduced:	F3O4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	-296.01
Dipole, Da:	3.05
IP(EA), eV:	-9.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-morpholin-4-ylpyridin-3-yl)-1H-indazole-6-carbaldehyde

Drug info:

PubChemData

Smile

COCOC1=C(C(=CC=C1)OC(F)(F)F)CC=O

DOS

IR

Vibrations