Geometry & MOs

Info

ID:	257499
PubChem CID:	103146627
Reduced:	IF2N2O2C9H11 (1)
Stoich.:	AB2C2D2E9F11 (1)
Weight, g/mol:	342.01907
ΔH_f, kcal/mol:	-152.79
Dipole, Da:	8.26
IP(EA), eV:	-9.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)CCOCC(F)F)I

DOS

IR

Vibrations