Geometry & MOs

Info

ID:	288103
PubChem CID:	104311178
Reduced:	BrN3O3H8C10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	418.91302
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	5.14
IP(EA), eV:	-9.49(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopyridin-2-yl)-5-iodo-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=NOC(=N2)CCC(=O)O)Br

DOS

IR

Vibrations