Geometry & MOs

Info

ID:	269495
PubChem CID:	103617746
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	421.98942
ΔH_f, kcal/mol:	-142.61
Dipole, Da:	4.74
IP(EA), eV:	-9.35(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-chloro-2-iodobenzoyl)piperazin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)N2CCN(CC2)C(=O)COC

DOS

IR

Vibrations