Geometry & MOs

Info

ID:	355495
PubChem CID:	127288558
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-65.33
Dipole, Da:	2.15
IP(EA), eV:	-8.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN2CCCC2C1)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations