Geometry & MOs

Info

ID:	332627
PubChem CID:	127250913
Reduced:	FO2N6C20H21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	3.09
IP(EA), eV:	-8.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)CC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations