Geometry & MOs

Info

ID:	392147
PubChem CID:	135013328
Reduced:	O3C19H22 (1)
Stoich.:	A3B19C22 (1)
Weight, g/mol:	376.134445
ΔH_f, kcal/mol:	-39.46
Dipole, Da:	2.87
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(oxan-2-yloxy)but-1-ynyl]phenyl]but-3-ynyl methanesulfonate

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCC#CC2=CC=CC=C2C#CCCO

DOS

IR

Vibrations