Geometry & MOs

Info

ID:	280971
PubChem CID:	103852260
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	299.01571
ΔH_f, kcal/mol:	-71.34
Dipole, Da:	4.49
IP(EA), eV:	-10.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-ylmethyl 2-bromopyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)COC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations