Geometry & MOs

Info

ID:	313343
PubChem CID:	126613957
Reduced:	O2F3N7C31H36 (1)
Stoich.:	A2B3C7D31E36 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-162.38
Dipole, Da:	6.04
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-methyl-5-oxo-4,7-diazaspiro[2.5]octane-7-carboxylic acid

Drug info:

PubChemData

Smile

C1CNC(C[C@@H]1C(=O)N2CC[C@@H](C2)NC3CCC(CC3)(C4=NC=C(C=C4)C5=NC=CC=N5)O)C6=NC=CC(=C6)C(F)(F)F

DOS

IR

Vibrations