Geometry & MOs

Info

ID:	441893
PubChem CID:	135246526
Reduced:	NF2O2C8H9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	318.95681
ΔH_f, kcal/mol:	-153.6
Dipole, Da:	3.23
IP(EA), eV:	-9.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromopyridin-2-yl)oxy-2-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

COCC(C1=NC=C(C=C1)O)(F)F

DOS

IR

Vibrations