Geometry & MOs

Info

ID:	332623
PubChem CID:	127250909
Reduced:	FON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	355.119988
ΔH_f, kcal/mol:	-35.59
Dipole, Da:	2.33
IP(EA), eV:	-9.17(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]pyrimidin-5-yl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COC(CN1)C2=CC=CC(=N2)CC3=CC=CC=C3F

DOS

IR

Vibrations