Geometry & MOs

Info

ID:	258058
PubChem CID:	103150476
Reduced:	OF2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	355.05071
ΔH_f, kcal/mol:	-153.18
Dipole, Da:	6.16
IP(EA), eV:	-9.09(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)CC(C)C)CCOCC(F)F

DOS

IR

Vibrations