Geometry & MOs

Info

ID:	267800
PubChem CID:	103589452
Reduced:	BrClN3O3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	316.00587
ΔH_f, kcal/mol:	9.71
Dipole, Da:	7.85
IP(EA), eV:	-8.96(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-nitrophenoxy)-2-methoxycyclobutan-1-amine

Drug info:

PubChemData

Smile

CNC1=NC(=C(C=C1)Cl)COC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations