Geometry & MOs

Info

ID:	5506
PubChem CID:	13247
Reduced:	OH5C6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	186.06808
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	2.36
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-yl acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations