Geometry & MOs

Info

ID:	259746
PubChem CID:	103173445
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	4.95
IP(EA), eV:	-8.72(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxypyridin-2-yl)methylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)CCC1=NC=CC(=C1OC)OC

DOS

IR

Vibrations