Geometry & MOs

Info

ID:	255428
PubChem CID:	103131954
Reduced:	ClOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	220.04628
ΔH_f, kcal/mol:	-90.57
Dipole, Da:	3.52
IP(EA), eV:	-9.62(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromobutyl)-5-methyloxolane

Drug info:

PubChemData

Smile

CC1CCC(O1)CCCCCl

DOS

IR

Vibrations