Geometry & MOs

Info

ID:	263974
PubChem CID:	103411664
Reduced:	SBr2N2O2C14H14 (1)
Stoich.:	AB2C2D2E14F14 (1)
Weight, g/mol:	260.09277
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	9.19
IP(EA), eV:	-8.31(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[3-(2-methoxyethoxy)propyl]-2-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1=C(SC=C1)CNC2=CC(=C(C=C2Br)Br)OC

DOS

IR

Vibrations