Geometry & MOs

Info

ID:	413034
PubChem CID:	135085978
Reduced:	FOSeH13C18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	316.186087
ΔH_f, kcal/mol:	62.91
Dipole, Da:	3.14
IP(EA), eV:	-8.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylsulfanylethynyl)cyclododecan-1-ol

Drug info:

PubChemData

Smile

C#CCOC(C#C[Se]C1=CC=CC=C1)C2=CC=C(C=C2)F

DOS

IR

Vibrations