Geometry & MOs

Info

ID:	325558
PubChem CID:	126683958
Reduced:	O2N9C25H33 (1)
Stoich.:	A2B9C25D33 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	59.25
Dipole, Da:	5.2
IP(EA), eV:	-9.25(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-nitroso-5-[(E)-oct-1-enyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=NC(=NC(=N1)OC[C@H]2C[C@H]2CN=C)N3CCC(CC3)C4=C5C=CC=NC5=NN4

DOS

IR

Vibrations