Geometry & MOs

Info

ID:	17882
PubChem CID:	525139
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-198.59
Dipole, Da:	3.45
IP(EA), eV:	-10.32(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-butyl 4-O-octyl benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC

DOS

IR

Vibrations