Geometry & MOs

Info

ID:	372049
PubChem CID:	131290596
Reduced:	BrNO5H6C8 (1)
Stoich.:	ABC5D6E8 (1)
Weight, g/mol:	225.063722
ΔH_f, kcal/mol:	-103.28
Dipole, Da:	3.6
IP(EA), eV:	-10.43(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-2-oxoethyl)-6-methyl-2-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1O)Br)[N+](=O)[O-]

DOS

IR

Vibrations