Geometry & MOs

Info

ID:	375348
PubChem CID:	131500048
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	3.03
IP(EA), eV:	-8.48(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-8-amino-3-bromo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)[C@@H]2CCCN2)O

DOS

IR

Vibrations