Geometry & MOs

Info

ID:	4288
PubChem CID:	11118
Reduced:	N2O3C9H12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	196.084792
ΔH_f, kcal/mol:	-34.58
Dipole, Da:	7.88
IP(EA), eV:	-8.83(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-propoxyaniline

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])N

DOS

IR

Vibrations