Geometry & MOs

Info

ID:	256971
PubChem CID:	103142804
Reduced:	ClO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	238.089121
ΔH_f, kcal/mol:	-142.9
Dipole, Da:	3.87
IP(EA), eV:	-9.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,2-bis(chloromethyl)butyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CO)(CO)C2=CC=CC=C2Cl

DOS

IR

Vibrations