Geometry & MOs

Info

ID:	406383
PubChem CID:	135077400
Reduced:	SO2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	1.7
IP(EA), eV:	-8.82(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,7-dimethyloct-6-en-1-yn-3-yloxymethyl)-4-nitrobenzene

Drug info:

PubChemData

Smile

COC(C(C1CCCC1)O)SC2=CC=CC=C2

DOS

IR

Vibrations