Geometry & MOs

Info

ID:	442351
PubChem CID:	135251518
Reduced:	NO4C25H39 (1)
Stoich.:	AB4C25D39 (1)
Weight, g/mol:	419.99887
ΔH_f, kcal/mol:	-194.83
Dipole, Da:	1.59
IP(EA), eV:	-8.21(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl] benzoate

Drug info:

PubChemData

Smile

C[C@H](C(C)C)C(=O)OC1CC2C3=CC(=C(C=C3CCN2CC1CC(C)C)OC)OC

DOS

IR

Vibrations