Geometry & MOs

Info

ID:	306463
PubChem CID:	125011813
Reduced:	O2N5C25H37 (1)
Stoich.:	A2B5C25D37 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	2.77
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@@H](C)C(=O)N1CCC[C@H]1C2=NN3C(=C(C(=NC3=C2)C)CCC(=O)NC4CCCC4)C

DOS

IR

Vibrations