Geometry & MOs

Info

ID:	441927
PubChem CID:	135246733
Reduced:	OF3N3H14C19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	381.090053
ΔH_f, kcal/mol:	-104.22
Dipole, Da:	5.48
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-ethyl-2,4-difluorophenyl)-4-[6-(trifluoromethyl)pyridin-3-yl]oxypyrimidine

Drug info:

PubChemData

Smile

C1COC2=C1C=CC=C2C3=CN=CN=C3CC4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations