Geometry & MOs

Info

ID:	299027
PubChem CID:	117668018
Reduced:	BrFON4C13H14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	260.124881
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	2.38
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-[3-(trifluoromethyl)piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=O)N(C=N2)C3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations