Geometry & MOs

Info

ID:	242385
PubChem CID:	96099917
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	341.160023
ΔH_f, kcal/mol:	-25.47
Dipole, Da:	5.8
IP(EA), eV:	-9.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-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)[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations