Geometry & MOs

Info

ID:	201677
PubChem CID:	79568396
Reduced:	SO2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-114.32
Dipole, Da:	4.9
IP(EA), eV:	-8.5(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(propoxymethyl)cycloheptan-1-one

Drug info:

PubChemData

Smile

CCC(C)SCC(=O)COC(C)C

DOS

IR

Vibrations