Geometry & MOs

Info

ID:	48279
PubChem CID:	10538598
Reduced:	SN3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	249.217196
ΔH_f, kcal/mol:	30.07
Dipole, Da:	8.08
IP(EA), eV:	-8.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-8,8,8-trideuterio-3,7-dimethyloct-6-enoxy]methylbenzene

Drug info:

PubChemData

Smile

CCN1C(CNC1=S)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations