Geometry & MOs

Info

ID:	11271
PubChem CID:	112770
Reduced:	O4C31H52 (1)
Stoich.:	A4B31C52 (1)
Weight, g/mol:	488.38656
ΔH_f, kcal/mol:	-247.25
Dipole, Da:	2.32
IP(EA), eV:	-10.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-(8-methylnonyl) 1-O-tridecyl benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C

DOS

IR

Vibrations