Geometry & MOs

Info

ID:	6482
PubChem CID:	68730
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	272.141245
ΔH_f, kcal/mol:	-108.78
Dipole, Da:	1.79
IP(EA), eV:	-8.34(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butyl-4-methoxynaphthalen-1-yl) acetate

Drug info:

PubChemData

Smile

CCCCC1=C(C2=CC=CC=C2C(=C1)OC)OC(=O)C

DOS

IR

Vibrations