Geometry & MOs

Info

ID:	329810
PubChem CID:	127246677
Reduced:	FO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-89.44
Dipole, Da:	5.45
IP(EA), eV:	-8.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)CCOC3=CC=CC=C3F)C

DOS

IR

Vibrations