Geometry & MOs

Info

ID:	269497
PubChem CID:	103617748
Reduced:	IN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	406.01897
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	2.44
IP(EA), eV:	-9.2(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluoro-2-iodobenzoyl)piperazin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCN(CC2)C(=O)COC)I

DOS

IR

Vibrations