Geometry & MOs

Info

ID:	430234
PubChem CID:	135170298
Reduced:	BrO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	224.225249
ΔH_f, kcal/mol:	-100.88
Dipole, Da:	2.23
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S,5R,6S)-5-ethyl-2,5,6-trimethyl-2-azabicyclo[2.2.2]octan-6-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C2C([C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4)O

DOS

IR

Vibrations