Geometry & MOs

Info

ID:	336814
PubChem CID:	127255821
Reduced:	ClHBr2N2C4 (1)
Stoich.:	ABC2D2E4 (1)
Weight, g/mol:	317.80564
ΔH_f, kcal/mol:	36.91
Dipole, Da:	1.82
IP(EA), eV:	-10.34(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-4-iodopyrimidine

Drug info:

PubChemData

Smile

C1=C(C(=NC(=N1)Br)Cl)Br

DOS

IR

Vibrations