Geometry & MOs

Info

ID:	283159
PubChem CID:	103961710
Reduced:	Br2N2O3H6C7 (1)
Stoich.:	A2B2C3D6E7 (1)
Weight, g/mol:	273.9953
ΔH_f, kcal/mol:	-13.62
Dipole, Da:	11.51
IP(EA), eV:	-9.82(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-amino-5-bromo-4-oxopyridin-1-yl)propanoate

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=CN1CCBr)Br)[N+](=O)[O-]

DOS

IR

Vibrations