Geometry & MOs

Info

ID:	273918
PubChem CID:	103805849
Reduced:	F3N3O3C11H18 (1)
Stoich.:	A3B3C3D11E18 (1)
Weight, g/mol:	401.06002
ΔH_f, kcal/mol:	-280.92
Dipole, Da:	5.65
IP(EA), eV:	-9.38(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCNCC1)C(=O)COCC(F)(F)F

DOS

IR

Vibrations