Geometry & MOs

Info

ID:	369605
PubChem CID:	127334885
Reduced:	FO2N6C20H23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	3.25
IP(EA), eV:	-8.92(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC(=CC4=NC=CN=C34)F

DOS

IR

Vibrations