Geometry & MOs

Info

ID:	374193
PubChem CID:	131325305
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	222.111676
ΔH_f, kcal/mol:	-24.11
Dipole, Da:	4.2
IP(EA), eV:	-8.44(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

C1CNCCN(C1)CCC2=CC(=CC=C2)O

DOS

IR

Vibrations