Geometry & MOs

Info

ID:	441449
PubChem CID:	135234701
Reduced:	ON3C16H18 (2)
Stoich.:	AB3C16D18 (2)
Weight, g/mol:	470.186652
ΔH_f, kcal/mol:	33.18
Dipole, Da:	3.38
IP(EA), eV:	-8.32(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]pyridin-3-yl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C/C=C/C(=O)N2CCC[C@H]2C3=NC(=C4N3C=CN=C4N)C5=CC=C(C=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations