Geometry & MOs

Info

ID:	35612
PubChem CID:	7980099
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	4.55
IP(EA), eV:	-8.93(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CNCC1=CC=CC=C1OCC=C)O

DOS

IR

Vibrations