Geometry & MOs

Info

ID:	322052
PubChem CID:	126668425
Reduced:	NOC13H27 (1)
Stoich.:	ABC13D27 (1)
Weight, g/mol:	277.122655
ΔH_f, kcal/mol:	-77.01
Dipole, Da:	1.14
IP(EA), eV:	-9.53(2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3S,6R)-8-amino-2-hydroxy-4-azatricyclo[4.2.1.03,8]nonan-4-yl]-(5-fluoropyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CCC(CCCC(N)OC)C1C(C1C)C

DOS

IR

Vibrations