Geometry & MOs

Info

ID:	272746
PubChem CID:	103754281
Reduced:	BrN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	309.01129
ΔH_f, kcal/mol:	0.07
Dipole, Da:	7.37
IP(EA), eV:	-9.56(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations