Geometry & MOs

Info

ID:	306044
PubChem CID:	125000879
Reduced:	FN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-117.39
Dipole, Da:	2.91
IP(EA), eV:	-9.12(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@H]2CN(CCO2)C(=O)COC3=CC(=CC=C3)F

DOS

IR

Vibrations