Geometry & MOs

Info

ID:	204355
PubChem CID:	79953265
Reduced:	BrON2F3C9H10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	345.97899
ΔH_f, kcal/mol:	-191.25
Dipole, Da:	7.49
IP(EA), eV:	-9.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N=C(N1)CCC(F)(F)F)Br

DOS

IR

Vibrations