Geometry & MOs

Info

ID:	220911
PubChem CID:	85240396
Reduced:	OH20C21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	288.118401
ΔH_f, kcal/mol:	27.65
Dipole, Da:	3.88
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4-dimethoxy-2-methylbut-2-enyl)sulfanylnaphthalene

Drug info:

PubChemData

Smile

C1CCC(=C(C1)C=CC2=CC=CC=C2)C3=CC=CC=C3C=O

DOS

IR

Vibrations