Geometry & MOs

Info

ID:	269898
PubChem CID:	103619596
Reduced:	NO5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	389.06002
ΔH_f, kcal/mol:	-176.54
Dipole, Da:	1.87
IP(EA), eV:	-8.7(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-iodo-4-nitrophenyl)-4-(2-methylpropyl)piperazine

Drug info:

PubChemData

Smile

COCCOCCCNCC(C1=CC2=C(C=C1)OCO2)O

DOS

IR

Vibrations