Geometry & MOs

Info

ID:	412838
PubChem CID:	135085767
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-141.4
Dipole, Da:	5.83
IP(EA), eV:	-9.18(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2,3,3-trimethylbut-1-enyl]sulfonylpyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OCOC)C(=CC(=O)O2)C

DOS

IR

Vibrations