Geometry & MOs

Info

ID:	82138
PubChem CID:	49855672
Reduced:	O6C17H24 (1)
Stoich.:	A6B17C24 (1)
Weight, g/mol:	352.188589
ΔH_f, kcal/mol:	-262.22
Dipole, Da:	4.13
IP(EA), eV:	-8.69(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutyl 2-[(4-hydroxy-3-methoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CCCOC(=O)C(CC1=CC(=C(C=C1)O)OC)C(=O)OCCC

DOS

IR

Vibrations