Geometry & MOs

Info

ID:	287408
PubChem CID:	104240942
Reduced:	FOBr2N2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	386.95408
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	8.86
IP(EA), eV:	-9.58(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-cyclopentyl-2-(3,5-dichloropyridin-2-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C(=O)N=C(N2)C3=CC(=CC(=C3)Br)F)Br

DOS

IR

Vibrations