Geometry & MOs

Info

ID:	441529
PubChem CID:	135235777
Reduced:	N2O2F3H15C19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	359.088161
ΔH_f, kcal/mol:	-141.91
Dipole, Da:	6.0
IP(EA), eV:	-9.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1-benzofuran-7-yl)-4-[6-(trifluoromethyl)pyridin-3-yl]oxypyrimidine

Drug info:

PubChemData

Smile

COCC1=CC=CC=C1C2=C(N=CC=C2)OC3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations