Geometry & MOs

Info

ID:	329802
PubChem CID:	127246669
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-32.19
Dipole, Da:	6.96
IP(EA), eV:	-9.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)CCC3=C(ON=C3C)C)C

DOS

IR

Vibrations