Geometry & MOs

Info

ID:	261767
PubChem CID:	103249990
Reduced:	NO2C15H29 (1)
Stoich.:	AB2C15D29 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-143.16
Dipole, Da:	6.49
IP(EA), eV:	-9.62(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-cyclohexylpropylamino)methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(CC)C1CCCCC1

DOS

IR

Vibrations