Geometry & MOs

Info

ID:	388146
PubChem CID:	134988325
Reduced:	BrO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-160.63
Dipole, Da:	5.86
IP(EA), eV:	-10.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1,2,3,4-tetrahydronaphthalene-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@](C)([C@H](C(=O)O)Br)O

DOS

IR

Vibrations