Geometry & MOs

Info

ID:	327714
PubChem CID:	126690843
Reduced:	NCl2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	288.154787
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	7.59
IP(EA), eV:	-8.78(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pentylsulfanyl-4-propan-2-yloxynaphthalene

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)N=C3C=C(C(=O)C(=C3C2(C)C)Cl)Cl

DOS

IR

Vibrations