Geometry & MOs

Info

ID:	257611
PubChem CID:	103147350
Reduced:	BrF2N2O2C10H13 (1)
Stoich.:	AB2C2D2E10F13 (1)
Weight, g/mol:	236.077262
ΔH_f, kcal/mol:	-148.17
Dipole, Da:	0.96
IP(EA), eV:	-9.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)propan-1-ol

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Br)C(=O)CCOCC(F)F

DOS

IR

Vibrations