Geometry & MOs

Info

ID:	442480
PubChem CID:	135252370
Reduced:	FIN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	321.01382
ΔH_f, kcal/mol:	6.78
Dipole, Da:	1.32
IP(EA), eV:	-8.73(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-fluoropyridin-3-yl)methyl]-4-iodopiperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=C(C=C2)F)I

DOS

IR

Vibrations