Geometry & MOs

Info

ID:	4951
PubChem CID:	12329
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	174.089209
ΔH_f, kcal/mol:	-196.5
Dipole, Da:	0.84
IP(EA), eV:	-11.04(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl hexanedioate

Drug info:

PubChemData

Smile

COC(=O)CCCCC(=O)OC

DOS

IR

Vibrations