Geometry & MOs

Info

ID:	11285
PubChem CID:	113202
Reduced:	O4C12H19 (2)
Stoich.:	A4B12C19 (2)
Weight, g/mol:	454.256668
ΔH_f, kcal/mol:	-371.93
Dipole, Da:	1.12
IP(EA), eV:	-10.9(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[4-[4-(4-methylpentoxy)-4-oxobut-2-enoyl]oxybutyl] 4-O-(4-methylpentyl) but-2-enedioate

Drug info:

PubChemData

Smile

CC(C)CCCOC(=O)C=CC(=O)OCCCCOC(=O)C=CC(=O)OCCCC(C)C

DOS

IR

Vibrations