Geometry & MOs

Info

ID:	329720
PubChem CID:	127246587
Reduced:	FO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-70.08
Dipole, Da:	4.64
IP(EA), eV:	-9.19(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)COC3=CC=C(C=C3)F

DOS

IR

Vibrations