Geometry & MOs

Info

ID:	387272
PubChem CID:	134984682
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	370.186813
ΔH_f, kcal/mol:	3.01
Dipole, Da:	3.54
IP(EA), eV:	-8.32(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-2-tert-butyl-4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CN1[C@](C[C@@H](O1)C2=CC(=C(C=C2)OC)OC)(CN3C=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations