Geometry & MOs

Info

ID:	269348
PubChem CID:	103617113
Reduced:	FIN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	408.00046
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	4.35
IP(EA), eV:	-9.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-3-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCC1)C(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations