Geometry & MOs

Info

ID:	306335
PubChem CID:	125003812
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	23.78
Dipole, Da:	6.31
IP(EA), eV:	-8.88(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-hydroxyethyl)-N-methyl-2-(3-pyrazin-2-ylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CCCN(C1)C2=CC(=NC=N2)N(C)C)C(=O)NC3=NC=CS3

DOS

IR

Vibrations