Geometry & MOs

Info

ID:	413035
PubChem CID:	135085979
Reduced:	OSC20H28 (1)
Stoich.:	ABC20D28 (1)
Weight, g/mol:	364.13054
ΔH_f, kcal/mol:	2.81
Dipole, Da:	3.95
IP(EA), eV:	-8.51(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylselanylethynyl)cyclododecan-1-ol

Drug info:

PubChemData

Smile

C1CCCCCC(CCCCC1)(C#CSC2=CC=CC=C2)O

DOS

IR

Vibrations