Geometry & MOs

Info

ID:	305828
PubChem CID:	124971030
Reduced:	FN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	286.154209
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	3.73
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CN([C@H]1CC2(CCN(CC2)C(=O)C3=CN=CO3)OC1)C4=CC=C(C=C4)F

DOS

IR

Vibrations