Geometry & MOs

Info

ID:	255885
PubChem CID:	103135384
Reduced:	BrClO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	318.00222
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	2.11
IP(EA), eV:	-9.69(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC=C2Br)CCl

DOS

IR

Vibrations