Geometry & MOs

Info

ID:	184166
PubChem CID:	77123266
Reduced:	BrON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	334.06808
ΔH_f, kcal/mol:	8.78
Dipole, Da:	6.56
IP(EA), eV:	-9.47(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-propan-2-yl-2-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1C(C(=O)NC(N1)C2=NC=CC3=CC=CC=C32)Br

DOS

IR

Vibrations