Geometry & MOs

Info

ID:	54182
PubChem CID:	14746265
Reduced:	Cl4O7H12C24 (1)
Stoich.:	A4B7C12D24 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-227.96
Dipole, Da:	7.03
IP(EA), eV:	-9.45(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxy-6-ethynylnaphthalene

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O3

DOS

IR

Vibrations