Geometry & MOs

Info

ID:	385504
PubChem CID:	134979256
Reduced:	BrClC12H24 (1)
Stoich.:	ABC12D24 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-70.8
Dipole, Da:	4.35
IP(EA), eV:	-10.45(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethylpent-2-en-3-yloxy)cyclohexa-1,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCCCCCCCCCl)CBr

DOS

IR

Vibrations