Geometry & MOs

Info

ID:	332624
PubChem CID:	127250910
Reduced:	ClON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	75.81
Dipole, Da:	4.26
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations