Geometry & MOs

Info

ID:	314298
PubChem CID:	126621224
Reduced:	O4C7H12 (1)
Stoich.:	A4B7C12 (1)
Weight, g/mol:	226.102751
ΔH_f, kcal/mol:	-197.37
Dipole, Da:	2.78
IP(EA), eV:	-10.84(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(2S)-2-methylbutyl]sulfonylbenzene

Drug info:

PubChemData

Smile

CC1C(OC(OC1=O)(C)C)O

DOS

IR

Vibrations