Geometry & MOs

Info

ID:	204508
PubChem CID:	79974104
Reduced:	BrN5C14H22 (1)
Stoich.:	AB5C14D22 (1)
Weight, g/mol:	277.195426
ΔH_f, kcal/mol:	24.82
Dipole, Da:	2.85
IP(EA), eV:	-8.46(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1Br)C)C2CN3CCN2CC3

DOS

IR

Vibrations