Geometry & MOs

Info

ID:	22409
PubChem CID:	597163
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	1.71
IP(EA), eV:	-9.62(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hex-3-enyl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(COC(=N1)CCC=CCCC2=NC(CO2)(C)C)C

DOS

IR

Vibrations