Geometry & MOs

Info

ID:	308132
PubChem CID:	125317097
Reduced:	BrFON3H13C18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	188.035255
ΔH_f, kcal/mol:	29.15
Dipole, Da:	4.12
IP(EA), eV:	-9.59(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-propyl-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1N=C2C3=C(C=CC(=C3)Br)N=C2C(=O)N1CCC4=CC=C(C=C4)F

DOS

IR

Vibrations