Geometry & MOs

Info

ID:	306251
PubChem CID:	125003328
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	1.56
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-propan-2-ylimidazol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C(=O)NC2CCOCC2)[C@H]3CCCNC3

DOS

IR

Vibrations