Geometry & MOs

Info

ID:	406565
PubChem CID:	135078056
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	306.111208
ΔH_f, kcal/mol:	-157.6
Dipole, Da:	2.45
IP(EA), eV:	-10.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hex-1-ynyl-2-[3-(methoxymethyl)phenyl]-1,3-dithiolane

Drug info:

PubChemData

Smile

CCCCOC(=O)C(=C=C)COC(=O)C

DOS

IR

Vibrations