Geometry & MOs

Info

ID:	441953
PubChem CID:	135246995
Reduced:	F2O2N3H17C22 (1)
Stoich.:	A2B2C3D17E22 (1)
Weight, g/mol:	367.093247
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	4.53
IP(EA), eV:	-9.16(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]quinoline

Drug info:

PubChemData

Smile

COCC(C1=CC=C(C=C1)OC2=C(C=CC=N2)C3=C4C(=CC=C3)N=CC=N4)(F)F

DOS

IR

Vibrations