Geometry & MOs

Info

ID:	386393
PubChem CID:	134981602
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-49.27
Dipole, Da:	1.48
IP(EA), eV:	-8.17(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-5-methylhex-3-en-2-yl]propanedioate

Drug info:

PubChemData

Smile

C[C@]12CCCC1=C3CCCCC3=CO2

DOS

IR

Vibrations