Geometry & MOs

Info

ID:	204409
PubChem CID:	79961077
Reduced:	OF3N3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	295.186004
ΔH_f, kcal/mol:	-150.45
Dipole, Da:	5.35
IP(EA), eV:	-9.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,3-difluorophenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CN1C(C(=NC1=O)N)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations