Geometry & MOs

Info

ID:	12097
PubChem CID:	130186
Reduced:	IOF2N5C27H28 (1)
Stoich.:	ABC2D5E27F28 (1)
Weight, g/mol:	603.13066
ΔH_f, kcal/mol:	29.92
Dipole, Da:	3.23
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-azido-3-iodophenyl)ethyl]-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC(=C(C=C2)N=[N+]=[N-])I)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations