Geometry & MOs

Info

ID:	441450
PubChem CID:	135234703
Reduced:	FO2N6H23C26 (1)
Stoich.:	AB2C6D23E26 (1)
Weight, g/mol:	452.196074
ΔH_f, kcal/mol:	25.58
Dipole, Da:	6.01
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CN=C(C=C4)OCC5=CC=C(C=C5)F

DOS

IR

Vibrations