Geometry & MOs

Info

ID:	285908
PubChem CID:	104137088
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	5.7
IP(EA), eV:	-8.77(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-(cyclohexylmethylamino)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)O)NCC2CCCCC2

DOS

IR

Vibrations