Geometry & MOs

Info

ID:	269871
PubChem CID:	103619517
Reduced:	IN2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	405.01855
ΔH_f, kcal/mol:	52.8
Dipole, Da:	9.43
IP(EA), eV:	-9.22(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-iodo-4-nitrophenyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C=CCNC1=CC(=C(C=C1)[N+](=O)[O-])I

DOS

IR

Vibrations