Geometry & MOs

Info

ID:	18175
PubChem CID:	538734
Reduced:	O4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	-228.22
Dipole, Da:	1.65
IP(EA), eV:	-10.87(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-hexyl 4-O-propan-2-yl butanedioate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)CCC(=O)OC(C)C

DOS

IR

Vibrations