Geometry & MOs

Info

ID:	264704
PubChem CID:	103484072
Reduced:	BrClFN3O3H8C12 (1)
Stoich.:	ABCD3E3F8G12 (1)
Weight, g/mol:	346.03283
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	5.04
IP(EA), eV:	-9.08(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-5-fluoro-2-nitrophenoxy)-N-propylcyclobutan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1Cl)COC2=CC(=C(C=C2[N+](=O)[O-])Br)F)N

DOS

IR

Vibrations