Geometry & MOs

Info

ID:	284366
PubChem CID:	104045856
Reduced:	ClNS3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-2.81
Dipole, Da:	2.33
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-methylcyclobutan-1-one

Drug info:

PubChemData

Smile

CCC1C(SCCS1)C2=NC(=CS2)CCCCl

DOS

IR

Vibrations