Geometry & MOs

Info

ID:	441441
PubChem CID:	135234682
Reduced:	ON7C22H33 (1)
Stoich.:	AB7C22D33 (1)
Weight, g/mol:	465.216475
ΔH_f, kcal/mol:	28.39
Dipole, Da:	2.49
IP(EA), eV:	-8.14(0.04)
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]pent-2-yn-1-one

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(C3=NC(=NN3)N4CCN(CC4)C)O

DOS

IR

Vibrations