Geometry & MOs

Info

ID:	380884
PubChem CID:	134971467
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	192.96529
ΔH_f, kcal/mol:	-63.69
Dipole, Da:	4.42
IP(EA), eV:	-10.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-bromo-5H-inden-5-ide

Drug info:

PubChemData

Smile

C[C@H](CC#C)C[C@H]1[C@@H](O1)/C=C/CC/C=C(\C)/C(=O)O

DOS

IR

Vibrations