Geometry & MOs

Info

ID:	374238
PubChem CID:	131325725
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	203.97859
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	2.5
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromobicyclo[2.1.1]hexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C=C2O)[C@@H](CCO)N

DOS

IR

Vibrations