Geometry & MOs

Info

ID:	287404
PubChem CID:	104240782
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	344.0558
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	9.2
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(butan-2-ylsulfanylmethyl)-6-cyclopentyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=O)C=C(N2)C3CCCC3

DOS

IR

Vibrations