Geometry & MOs

Info

ID:	262027
PubChem CID:	103266761
Reduced:	ClN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-139.34
Dipole, Da:	8.11
IP(EA), eV:	-9.41(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CCNCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

DOS

IR

Vibrations