Geometry & MOs

Info

ID:	230115
PubChem CID:	87570244
Reduced:	O4C19H36 (1)
Stoich.:	A4B19C36 (1)
Weight, g/mol:	328.26136
ΔH_f, kcal/mol:	-255.55
Dipole, Da:	8.15
IP(EA), eV:	-10.34(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-(2-butyloctyl) 1-O-methyl hexanedioate

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)CC(C)(CCCC(=O)O)C(=O)O

DOS

IR

Vibrations