Geometry & MOs

Info

ID:	372497
PubChem CID:	131298718
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	3.61
IP(EA), eV:	-9.05(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-6-(carboxymethyl)-5,6-dimethylcyclohexene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C(=CC(=N1)CN)N2CCOCC2

DOS

IR

Vibrations