Geometry & MOs

Info

ID:	402359
PubChem CID:	135055669
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	307.05718
ΔH_f, kcal/mol:	-171.06
Dipole, Da:	4.21
IP(EA), eV:	-9.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-7,7-dimethyl-2-azabicyclo[2.2.2]octan-5-one

Drug info:

PubChemData

Smile

C1COC(=O)N1C(=O)[C@@H]2C=CC(=O)C[C@H]2COCC3=CC=CC=C3

DOS

IR

Vibrations