Geometry & MOs

Info

ID:	269479
PubChem CID:	103617675
Reduced:	ION2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	404.07609
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	4.56
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-iodophenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations