Geometry & MOs

Info

ID:	412802
PubChem CID:	135085731
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	222.071451
ΔH_f, kcal/mol:	-90.26
Dipole, Da:	5.08
IP(EA), eV:	-9.86(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethylsulfanylethynyl)-1,2-dimethoxybenzene

Drug info:

PubChemData

Smile

CC1=CC2CCCC(=O)C2(CCC1=O)C

DOS

IR

Vibrations