Geometry & MOs

Info

ID:	183667
PubChem CID:	77052593
Reduced:	BrN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	234.06193
ΔH_f, kcal/mol:	-90.06
Dipole, Da:	6.97
IP(EA), eV:	-8.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(but-2-enoxymethyl)-3-methylbutane

Drug info:

PubChemData

Smile

CCC(CC)(C[N+]1=CC=[N+](C(=O)C1=O)C)CBr

DOS

IR

Vibrations