Geometry & MOs

Info

ID:	272749
PubChem CID:	103754626
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	339.0041
ΔH_f, kcal/mol:	-63.09
Dipole, Da:	3.76
IP(EA), eV:	-9.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(COC)N(C)C(=O)C1=C(N=CC=C1)Br

DOS

IR

Vibrations