Geometry & MOs

Info

ID:	198760
PubChem CID:	79145903
Reduced:	ON2F3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	-120.08
Dipole, Da:	3.11
IP(EA), eV:	-9.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-butyl-1,3-oxazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=C(OC=N1)C2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations