Geometry & MOs

Info

ID:	28179
PubChem CID:	826080
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-130.77
Dipole, Da:	5.4
IP(EA), eV:	-10.46(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-5-methylcyclohexane-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@](CCC1(C)C)(C)C(=O)O

DOS

IR

Vibrations