Geometry & MOs

Info

ID:	256963
PubChem CID:	103142729
Reduced:	BrClOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	258.138658
ΔH_f, kcal/mol:	-55.08
Dipole, Da:	2.22
IP(EA), eV:	-9.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CCl)C2=CC=CC=C2Br

DOS

IR

Vibrations