Geometry & MOs

Info

ID:	287405
PubChem CID:	104240868
Reduced:	BrOSN2C14H21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	341.07389
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	7.52
IP(EA), eV:	-9.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C)SCC1=NC(=O)C(=C(N1)C2CCCC2)Br

DOS

IR

Vibrations