Geometry & MOs

Info

ID:	372211
PubChem CID:	131294388
Reduced:	N2O2F3H7C9 (1)
Stoich.:	A2B2C3D7E9 (1)
Weight, g/mol:	232.045962
ΔH_f, kcal/mol:	-187.26
Dipole, Da:	3.42
IP(EA), eV:	-9.6(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl]furan-2-amine

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1O)O)C(F)(F)F)C(C#N)N

DOS

IR

Vibrations