Geometry & MOs

Info

ID:	279379
PubChem CID:	103843552
Reduced:	BrN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	4.35
IP(EA), eV:	-10.24(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-])CO

DOS

IR

Vibrations