Geometry & MOs

Info

ID:	337723
PubChem CID:	127258346
Reduced:	O7C20H32 (1)
Stoich.:	A7B20C32 (1)
Weight, g/mol:	412.173332
ΔH_f, kcal/mol:	-348.75
Dipole, Da:	5.34
IP(EA), eV:	-9.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl benzene-1,4-dicarboxylate;6-(4-hydroxybutoxy)-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)C(=O)OCCCCO)C(=O)O.C(CCCO)CCO

DOS

IR

Vibrations