Geometry & MOs

Info

ID:	255877
PubChem CID:	103135345
Reduced:	BrClO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	285.076786
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	3.05
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(chloromethyl)-4-nitrophenoxy]methyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)Cl)CBr

DOS

IR

Vibrations