Geometry & MOs

Info

ID:	440098
PubChem CID:	135229998
Reduced:	OF3N3C31H34 (1)
Stoich.:	AB3C3D31E34 (1)
Weight, g/mol:	317.00251
ΔH_f, kcal/mol:	-108.66
Dipole, Da:	5.49
IP(EA), eV:	-8.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodopyridin-2-yl)-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

C/C=C(/C1=CCC(=C1)C2=CN=CC=C2)\C(=C\3/C(=C(C)C)NCCCN3CC4=C(C=CC(=C4)C(F)(F)F)O)\C

DOS

IR

Vibrations