Geometry & MOs

Info

ID:	294710
PubChem CID:	117484471
Reduced:	ClN2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	299.99972
ΔH_f, kcal/mol:	-106.42
Dipole, Da:	3.8
IP(EA), eV:	-8.45(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)O)CCN2CCNCC2)Cl)OC

DOS

IR

Vibrations