Geometry & MOs

Info

ID:	440761
PubChem CID:	135231331
Reduced:	F3N3C8H8 (1)
Stoich.:	A3B3C8D8 (1)
Weight, g/mol:	274.129298
ΔH_f, kcal/mol:	-100.32
Dipole, Da:	7.08
IP(EA), eV:	-9.56(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine

Drug info:

PubChemData

Smile

C1CN(C1)C2=NC(=NC=C2)C(F)(F)F

DOS

IR

Vibrations