Geometry & MOs

Info

ID:	280972
PubChem CID:	103852268
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	273.00006
ΔH_f, kcal/mol:	-108.45
Dipole, Da:	3.12
IP(EA), eV:	-9.87(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxypropyl 2-bromopyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCC1COC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations