Geometry & MOs

Info

ID:	178664
PubChem CID:	76364610
Reduced:	NF4O5H17C21 (1)
Stoich.:	AB4C5D17E21 (1)
Weight, g/mol:	432.228517
ΔH_f, kcal/mol:	-348.31
Dipole, Da:	4.06
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1CC2=CC=CC=C2N1C(=O)C=CC3=C(C=C(C=C3)OC(F)F)OC(F)F

DOS

IR

Vibrations