Geometry & MOs

Info

ID:	225597
PubChem CID:	85856297
Reduced:	ClO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	246.102272
ΔH_f, kcal/mol:	-157.53
Dipole, Da:	4.46
IP(EA), eV:	-10.13(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)C2(OCCO2)CCCCl

DOS

IR

Vibrations