Geometry & MOs

Info

ID:	145143
PubChem CID:	53469448
Reduced:	OF3N5H20C24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	295.110947
ΔH_f, kcal/mol:	-108.03
Dipole, Da:	4.24
IP(EA), eV:	-8.41(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylethynyl)-3-pyridin-2-ylimidazo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations