Geometry & MOs

Info

ID:	306298
PubChem CID:	125003660
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	453.254003
ΔH_f, kcal/mol:	40.79
Dipole, Da:	2.99
IP(EA), eV:	-8.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCC[C@H](CC2)CC3=CC4=C(C=C3)NN=C4

DOS

IR

Vibrations