Geometry & MOs

Info

ID:	287407
PubChem CID:	104240891
Reduced:	BrON4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	415.93582
ΔH_f, kcal/mol:	-8.85
Dipole, Da:	9.74
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(3-bromo-5-fluorophenyl)-6-cyclopentyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C(=O)N=C(N2)C3CN4CCN3CC4)Br

DOS

IR

Vibrations