Geometry & MOs

Info

ID:	20023
PubChem CID:	577051
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-18.46
Dipole, Da:	3.9
IP(EA), eV:	-9.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butan-2-yl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)ONC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations