Geometry & MOs

Info

ID:	295265
PubChem CID:	117523862
Reduced:	BrON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	336.96175
ΔH_f, kcal/mol:	46.22
Dipole, Da:	3.95
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[(2-chlorophenoxy)methyl]imidazo[1,5-c]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NC(=C3N2C=CN=C3)Br

DOS

IR

Vibrations