Geometry & MOs

Info

ID:	332647
PubChem CID:	127250933
Reduced:	ClO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	397.155018
ΔH_f, kcal/mol:	24.05
Dipole, Da:	2.51
IP(EA), eV:	-9.51(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)CCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations