Geometry & MOs

Info

ID:	127466
PubChem CID:	51003068
Reduced:	Br3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	205.048741
ΔH_f, kcal/mol:	-134.74
Dipole, Da:	5.08
IP(EA), eV:	-9.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azidomethyl)-3-methylfuro[2,3-c]pyran-2-one

Drug info:

PubChemData

Smile

COC(=O)CCC[C@@H](/C(=C/C=C/C(=O)CC/C=C(/C=C\Br)\Br)/Br)O

DOS

IR

Vibrations