Geometry & MOs

Info

ID:	208350
PubChem CID:	80522655
Reduced:	ClN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	285.091355
ΔH_f, kcal/mol:	72.33
Dipole, Da:	6.05
IP(EA), eV:	-9.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-6-methoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)/C(=C(/C#N)\C2=CN=CC=C2)/Cl

DOS

IR

Vibrations