Geometry & MOs

Info

ID:	216194
PubChem CID:	85085867
Reduced:	OSN4C10H20 (1)
Stoich.:	ABC4D10E20 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	23.9
Dipole, Da:	4.57
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,6-dimethyl-8-oxooct-2-enoate

Drug info:

PubChemData

Smile

CCCC(=C1CNNC(N1)SC(C)C)N=O

DOS

IR

Vibrations