Geometry & MOs

Info

ID:	21551
PubChem CID:	588895
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	2.08
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-yl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations