Geometry & MOs

Info

ID:	442967
PubChem CID:	135257159
Reduced:	F3O3N6C19H19 (1)
Stoich.:	A3B3C6D19E19 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-221.89
Dipole, Da:	6.81
IP(EA), eV:	-8.93(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3'-(2H-triazol-4-ylmethyl)spiro[3-azabicyclo[3.2.1]octane-6,5'-imidazolidine]-2',4'-dione

Drug info:

PubChemData

Smile

CC1CC/C(=C\NC2=CC(=CC3=CN=CN23)C(F)(F)F)/C14C(=O)N(C(=O)N4)CC(=O)N

DOS

IR

Vibrations