Geometry & MOs

Info

ID:	424339
PubChem CID:	135122290
Reduced:	O4N5H15C18 (1)
Stoich.:	A4B5C15D18 (1)
Weight, g/mol:	274.92612
ΔH_f, kcal/mol:	-12.9
Dipole, Da:	6.43
IP(EA), eV:	-9.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-chloro-5-fluoro-6-pyrrol-1-ylpyrimidine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=CC4=NON=C4C=C3)C=C(N2)C(=O)NCCNC(=O)O

DOS

IR

Vibrations