Geometry & MOs

Info

ID:	222201
PubChem CID:	85295179
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	216.091708
ΔH_f, kcal/mol:	-51.54
Dipole, Da:	2.44
IP(EA), eV:	-9.34(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-chloro-2,6-dimethylocta-2,6-dienoate

Drug info:

PubChemData

Smile

CC12CCCCC1CC(C3=CC=CC=C23)O

DOS

IR

Vibrations