Geometry & MOs

Info

ID:	292765
PubChem CID:	117358372
Reduced:	NC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	242.025833
ΔH_f, kcal/mol:	7.49
Dipole, Da:	2.88
IP(EA), eV:	-8.04(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-amino-1,2-oxazol-3-yl)-2-chloro-6-fluoro-3-methylphenol

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CC(=C2)CC3CCNCC3)C

DOS

IR

Vibrations