Geometry & MOs

Info

ID:	12966
PubChem CID:	219213
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-207.21
Dipole, Da:	6.08
IP(EA), eV:	-11.04(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethylheptanedioic acid

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)O)CCC(=O)O

DOS

IR

Vibrations