Geometry & MOs

Info

ID:	407763
PubChem CID:	135080518
Reduced:	PO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	202.081622
ΔH_f, kcal/mol:	-124.95
Dipole, Da:	4.14
IP(EA), eV:	-9.57(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-methylbut-1-enyl]sulfanylethynylbenzene

Drug info:

PubChemData

Smile

CCOP1(=O)CCCC2=CC=CC=C12

DOS

IR

Vibrations