Geometry & MOs

Info

ID:	449356
PubChem CID:	135297905
Reduced:	IO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	440.29266
ΔH_f, kcal/mol:	-133.71
Dipole, Da:	2.41
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

undecyl 3,5-dimethyl-4-(2-phenoxyethoxy)benzoate

Drug info:

PubChemData

Smile

CCCCCCCOC(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)I

DOS

IR

Vibrations