Geometry & MOs

Info

ID:	34044
PubChem CID:	7889573
Reduced:	NO3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	320.104859
ΔH_f, kcal/mol:	-90.18
Dipole, Da:	5.6
IP(EA), eV:	-9.14(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl 2-naphthalen-1-ylacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1CCCC2=CC=CC=C12)OC(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations