Geometry & MOs

Info

ID:	295291
PubChem CID:	117525169
Reduced:	BrN4H7C13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	257.080041
ΔH_f, kcal/mol:	131.51
Dipole, Da:	7.45
IP(EA), eV:	-9.26(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-6-(methylamino)imidazo[1,5-a]pyridine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC(=C3N2C=C(C=C3)Br)C#N

DOS

IR

Vibrations