Geometry & MOs

Info

ID:	442479
PubChem CID:	135252364
Reduced:	O2N8C27H32 (1)
Stoich.:	A2B8C27D32 (1)
Weight, g/mol:	321.01382
ΔH_f, kcal/mol:	87.28
Dipole, Da:	10.39
IP(EA), eV:	-8.13(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-fluoropyridin-2-yl)methyl]-4-iodopiperazine

Drug info:

PubChemData

Smile

CN=C(C1=CC=CC2=C1NC=C2)N=C(NC3=C(C=C(C(=C3)NC(=O)C=C)N4CC(C4)N(C)C)OC)N=C

DOS

IR

Vibrations