Geometry & MOs

Info

ID:	295263
PubChem CID:	117523808
Reduced:	BrON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	301.02146
ΔH_f, kcal/mol:	46.85
Dipole, Da:	5.28
IP(EA), eV:	-8.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-6-(2-phenylethyl)imidazo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC(=C3N2C=CC=N3)Br

DOS

IR

Vibrations