Geometry & MOs

Info

ID:	222385
PubChem CID:	85297326
Reduced:	O3C27H44 (1)
Stoich.:	A3B27C44 (1)
Weight, g/mol:	417.212693
ΔH_f, kcal/mol:	-206.27
Dipole, Da:	6.56
IP(EA), eV:	-9.18(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,2-dimethyl-4-[3,3,3-trifluoro-2-(phenylmethoxymethyl)propyl]-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)CC(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O

DOS

IR

Vibrations