Geometry & MOs

Info

ID:	136356
PubChem CID:	52027570
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-17.55
Dipole, Da:	5.29
IP(EA), eV:	-8.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-(4-methyl-1H-indol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC=C2[C@@H]3CCCN3C(=O)C4=NC=CNC4=O

DOS

IR

Vibrations