Geometry & MOs

Info

ID:	171939
PubChem CID:	75444090
Reduced:	BrN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	316.0245
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	4.38
IP(EA), eV:	-9.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-cyclooctyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations