Geometry & MOs

Info

ID:	248678
PubChem CID:	103083532
Reduced:	BrON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	389.88647
ΔH_f, kcal/mol:	3.96
Dipole, Da:	7.51
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=O)C3=C(N2)CCC3

DOS

IR

Vibrations