Geometry & MOs

Info

ID:	255208
PubChem CID:	103130659
Reduced:	FON3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-15.97
Dipole, Da:	5.15
IP(EA), eV:	-9.63(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diazabicyclo[2.2.2]octan-2-yl-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=NC=C(C=C2)F)O

DOS

IR

Vibrations