Geometry & MOs

Info

ID:	242370
PubChem CID:	96099902
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-2.78
Dipole, Da:	5.58
IP(EA), eV:	-8.84(-0.54)
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]-4-(pyrimidin-2-ylamino)butan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)CCCNC3=NC=CC=N3

DOS

IR

Vibrations