Geometry & MOs

Info

ID:	424337
PubChem CID:	135122287
Reduced:	BrClFH2N3C4 (1)
Stoich.:	ABCD2E3F4 (1)
Weight, g/mol:	164.038591
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	4.16
IP(EA), eV:	-9.89(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluorofuran-3-yl)pyrimidine

Drug info:

PubChemData

Smile

C1(=C(N=C(N=C1Cl)Br)N)F

DOS

IR

Vibrations