Geometry & MOs

Info

ID:	296478
PubChem CID:	117577537
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-72.78
Dipole, Da:	3.01
IP(EA), eV:	-8.76(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)N(C)CCCC(=O)O

DOS

IR

Vibrations