Geometry & MOs

Info

ID:	399203
PubChem CID:	135038655
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	3.55
IP(EA), eV:	-8.92(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-6-(2-ethyl-1,3-dioxolan-2-yl)hex-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1=C(OC2=C1C(=O)CCC2)C

DOS

IR

Vibrations