Geometry & MOs

Info

ID:	269872
PubChem CID:	103619518
Reduced:	IN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	399.992
ΔH_f, kcal/mol:	-55.9
Dipole, Da:	7.87
IP(EA), eV:	-9.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-3-iodo-4-nitroaniline

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])I

DOS

IR

Vibrations