Geometry & MOs

Info

ID:	285687
PubChem CID:	104118961
Reduced:	N2O2F3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-171.6
Dipole, Da:	4.38
IP(EA), eV:	-9.42(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-methylpentan-2-yloxy)-1,3-oxazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=COC(=N1)OC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations