Geometry & MOs

Info

ID:	171435
PubChem CID:	75377008
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	328.083937
ΔH_f, kcal/mol:	-54.96
Dipole, Da:	7.92
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC1CN(CC2)C3=NC=C(C=C3)C#N

DOS

IR

Vibrations