Geometry & MOs

Info

ID:	258050
PubChem CID:	103150402
Reduced:	BrOF2N3C14H22 (1)
Stoich.:	ABC2D3E14F22 (1)
Weight, g/mol:	417.05249
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	5.13
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-iodo-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1Br)C(C)(C)C)CCOCC(F)F

DOS

IR

Vibrations