Geometry & MOs

Info

ID:	387536
PubChem CID:	134985756
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	206.112922
ΔH_f, kcal/mol:	-60.11
Dipole, Da:	2.44
IP(EA), eV:	-9.34(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-butylsulfanylprop-1-enyl]benzene

Drug info:

PubChemData

Smile

CO/C(=C\C1=CC=CC=C1)/CCO

DOS

IR

Vibrations