Geometry & MOs

Info

ID:	189492
PubChem CID:	77865549
Reduced:	FN2C26H27 (1)
Stoich.:	AB2C26D27 (1)
Weight, g/mol:	297.194008
ΔH_f, kcal/mol:	15.41
Dipole, Da:	2.88
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,2-dimethyl-4-(5-oxohex-3-enyl)-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(C(CC1C(CC2=CC=C(C=C2)F)N)CC#N)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations