Geometry & MOs

Info

ID:	242262
PubChem CID:	96099687
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	327.144373
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	3.93
IP(EA), eV:	-9.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(5-ethyl-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

CCC1=NC(=NO1)[C@H]2CCCN2C(=O)[C@H](C)OCCOC

DOS

IR

Vibrations