Geometry & MOs

Info

ID:	217648
PubChem CID:	85088158
Reduced:	O5C22H40 (1)
Stoich.:	A5B22C40 (1)
Weight, g/mol:	384.266445
ΔH_f, kcal/mol:	-299.33
Dipole, Da:	6.86
IP(EA), eV:	-10.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,5-ditert-butyl-2-ethoxyphenyl)-2-methylocta-2,4,6-trienoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC(=O)CC1(CC(=O)OC1)CCO

DOS

IR

Vibrations