Geometry & MOs

Info

ID:	354964
PubChem CID:	127287825
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	329.160023
ΔH_f, kcal/mol:	-110.83
Dipole, Da:	2.74
IP(EA), eV:	-9.26(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations