Geometry & MOs

Info

ID:	321853
PubChem CID:	126667082
Reduced:	FOSN3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	212.069811
ΔH_f, kcal/mol:	34.88
Dipole, Da:	6.53
IP(EA), eV:	-8.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2-benzoxazol-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CSC1=NC=C/C(=C(/C2=CC=CC=C2F)\N=O)/N1

DOS

IR

Vibrations