Geometry & MOs

Info

ID:	413883
PubChem CID:	135086834
Reduced:	OH6C8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	158.019021
ΔH_f, kcal/mol:	27.73
Dipole, Da:	4.96
IP(EA), eV:	-9.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyl-2-ethynylsulfanylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(=O)C(C2=CC=CC=C2)O

DOS

IR

Vibrations