Geometry & MOs

Info

ID:	295262
PubChem CID:	117523805
Reduced:	BrN3H10C13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	317.01637
ΔH_f, kcal/mol:	87.82
Dipole, Da:	5.9
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-6-[(4-methoxyphenyl)methyl]imidazo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations