Geometry & MOs

Info

ID:	371614
PubChem CID:	131269098
Reduced:	Br2F2O2H4C9 (1)
Stoich.:	A2B2C2D4E9 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-125.22
Dipole, Da:	3.22
IP(EA), eV:	-10.38(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-4-(morpholin-3-ylmethyl)-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1F)F)Br)Br)C=CC(=O)O

DOS

IR

Vibrations