Geometry & MOs

Info

ID:	146809
PubChem CID:	53753353
Reduced:	NC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	328.03102
ΔH_f, kcal/mol:	52.05
Dipole, Da:	3.21
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-bromo-3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=CC=C2C3=CC=CC=N3

DOS

IR

Vibrations