Geometry & MOs

Info

ID:	225598
PubChem CID:	85856298
Reduced:	ClO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	260.117922
ΔH_f, kcal/mol:	-163.83
Dipole, Da:	4.19
IP(EA), eV:	-9.91(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chloropropyl)-1,3-dioxolan-2-yl]cycloheptan-1-one

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)C2(OCCO2)CCCCl

DOS

IR

Vibrations