Geometry & MOs

Info

ID:	413514
PubChem CID:	135086463
Reduced:	C25H26 (1)
Stoich.:	A25B26 (1)
Weight, g/mol:	310.081622
ΔH_f, kcal/mol:	55.97
Dipole, Da:	0.85
IP(EA), eV:	-9.0(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyl-2-[2-(2-phenylethynylsulfanyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCCCC/C=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations