Geometry & MOs

Info

ID:	250456
PubChem CID:	103096787
Reduced:	BrClON2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	277.140197
ΔH_f, kcal/mol:	10.33
Dipole, Da:	4.45
IP(EA), eV:	-9.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNCC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations