Geometry & MOs

Info

ID:	181446
PubChem CID:	76747719
Reduced:	O2F3N4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	413.082341
ΔH_f, kcal/mol:	-173.44
Dipole, Da:	1.98
IP(EA), eV:	-8.83(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,2-dimethyl-1,3-oxazolidin-4-ide-3-carboxylate;methanone;tungsten(2+)

Drug info:

PubChemData

Smile

C1C(N=C(O1)N)CCC2=CC=C(C=C2)NC(=O)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations