Geometry & MOs

Info

ID:	8332
PubChem CID:	76572
Reduced:	O2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	200.08373
ΔH_f, kcal/mol:	-51.24
Dipole, Da:	2.3
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-yl propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations