Geometry & MOs

Info

ID:	205808
PubChem CID:	80160821
Reduced:	IO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	369.98144
ΔH_f, kcal/mol:	8.33
Dipole, Da:	8.02
IP(EA), eV:	-9.15(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-iodophenoxy)methyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=NC=C(C(=O)N1CC2=CC(=C(C=C2)[N+](=O)[O-])NC)I

DOS

IR

Vibrations