Geometry & MOs

Info

ID:	306220
PubChem CID:	125002888
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	4.42
IP(EA), eV:	-9.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CO[C@H](CN1CC2=CC(=CC=C2)C(=O)O)CCC3=NC=NC=C3

DOS

IR

Vibrations