Geometry & MOs

Info

ID:	7896
PubChem CID:	74416
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-200.9
Dipole, Da:	3.64
IP(EA), eV:	-10.86(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl heptanedioate

Drug info:

PubChemData

Smile

COC(=O)CCCCCC(=O)OC

DOS

IR

Vibrations