Geometry & MOs

Info

ID:	57301
PubChem CID:	22395615
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	326.056469
ΔH_f, kcal/mol:	-106.66
Dipole, Da:	1.38
IP(EA), eV:	-8.94(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;1-butylnaphthalene;sulfate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1=CC=CC(=C1)C=C

DOS

IR

Vibrations