Geometry & MOs

Info

ID:	267805
PubChem CID:	103589663
Reduced:	BrN4O4H11C12 (1)
Stoich.:	AB4C4D11E12 (1)
Weight, g/mol:	337.0062
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	5.99
IP(EA), eV:	-9.9(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-5-nitrophenoxy)-N-ethylpyridin-3-amine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)N

DOS

IR

Vibrations