Geometry & MOs

Info

ID:	136355
PubChem CID:	52027569
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	16.7
Dipole, Da:	3.84
IP(EA), eV:	-8.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-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=CC(=C4)N

DOS

IR

Vibrations