Geometry & MOs

Info

ID:	372890
PubChem CID:	131306603
Reduced:	ClFO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	248.04119
ΔH_f, kcal/mol:	-160.81
Dipole, Da:	3.21
IP(EA), eV:	-10.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-2,9-dioxaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C(=CC=C1)F)C(=O)O)Cl

DOS

IR

Vibrations