Geometry & MOs

Info

ID:	435230
PubChem CID:	135185545
Reduced:	O2F3N5H20C21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	230.143056
ΔH_f, kcal/mol:	-116.39
Dipole, Da:	3.22
IP(EA), eV:	-9.78(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C1=NC=NN1C2=CC=CC=N2)N(CC3CC3)C(=O)C4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations