Geometry & MOs

Info

ID:	285910
PubChem CID:	104137090
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	5.45
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethylamino)-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)O)NCC2CCCCC2

DOS

IR

Vibrations