Geometry & MOs

Info

ID:	150901
PubChem CID:	53790598
Reduced:	FNSO2H12C17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	179.1674
ΔH_f, kcal/mol:	-44.75
Dipole, Da:	2.4
IP(EA), eV:	-9.21(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azatricyclo[7.2.2.03,7]tridecane

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1C=CC2=NC3=C(S2)C=CC(=C3)F

DOS

IR

Vibrations