Geometry & MOs

Info

ID:	326449
PubChem CID:	126687574
Reduced:	O5C7H14 (1)
Stoich.:	A5B7C14 (1)
Weight, g/mol:	448.91975
ΔH_f, kcal/mol:	-244.99
Dipole, Da:	2.39
IP(EA), eV:	-10.3(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethylimidazo[1,2-a]pyridine-6-carbonitrile

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O

DOS

IR

Vibrations