Geometry & MOs

Info

ID:	411846
PubChem CID:	135084691
Reduced:	BrOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	204.097272
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	2.03
IP(EA), eV:	-9.62(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-butylsulfanylethynyl)-4-methylbenzene

Drug info:

PubChemData

Smile

C=C(CC(CCO)C1=CC=CC=C1)Br

DOS

IR

Vibrations