Geometry & MOs

Info

ID:	198881
PubChem CID:	79165576
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	307.151847
ΔH_f, kcal/mol:	39.08
Dipole, Da:	4.03
IP(EA), eV:	-8.36(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NN1)C(=O)N2CCC3CCC(C2)N3C)N

DOS

IR

Vibrations