Geometry & MOs

Info

ID:	332648
PubChem CID:	127250934
Reduced:	FO3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	411.170668
ΔH_f, kcal/mol:	-49.01
Dipole, Da:	4.99
IP(EA), eV:	-9.18(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)CCOC4=CC(=CC=C4)F

DOS

IR

Vibrations