Geometry & MOs

Info

ID:	441451
PubChem CID:	135234705
Reduced:	ON3H12C13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	451.200825
ΔH_f, kcal/mol:	85.74
Dipole, Da:	5.92
IP(EA), eV:	-8.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)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=CC=C5

DOS

IR

Vibrations