Geometry & MOs

Info

ID:	441443
PubChem CID:	135234684
Reduced:	OSN5H23C26 (1)
Stoich.:	ABC5D23E26 (1)
Weight, g/mol:	520.183459
ΔH_f, kcal/mol:	125.33
Dipole, Da:	5.22
IP(EA), eV:	-8.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)SCC5=CC=CC=C5

DOS

IR

Vibrations