Geometry & MOs

Info

ID:	172275
PubChem CID:	75487575
Reduced:	O6C25H32 (1)
Stoich.:	A6B25C32 (1)
Weight, g/mol:	232.93554
ΔH_f, kcal/mol:	-203.9
Dipole, Da:	2.39
IP(EA), eV:	-9.27(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromoimidazo[1,2-a]pyrimidine;hydrochloride

Drug info:

PubChemData

Smile

C=CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations