Geometry & MOs

Info

ID:	204430
PubChem CID:	79965279
Reduced:	N3F4C8H9 (1)
Stoich.:	A3B4C8D9 (1)
Weight, g/mol:	339.05579
ΔH_f, kcal/mol:	-189.11
Dipole, Da:	2.81
IP(EA), eV:	-9.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-tert-butyl-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)CCC(F)(F)F)N)F

DOS

IR

Vibrations