Geometry & MOs

Info

ID:	242386
PubChem CID:	96099918
Reduced:	O2N7C16H19 (1)
Stoich.:	A2B7C16D19 (1)
Weight, g/mol:	341.160023
ΔH_f, kcal/mol:	52.9
Dipole, Da:	2.91
IP(EA), eV:	-9.49(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)CC3=NN4C=CC=NC4=N3

DOS

IR

Vibrations