Geometry & MOs

Info

ID:	284369
PubChem CID:	104045862
Reduced:	ClNSC8H12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-4.18
Dipole, Da:	2.36
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CCCCl

DOS

IR

Vibrations