Geometry & MOs

Info

ID:	30400
PubChem CID:	841254
Reduced:	INO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	294.96665
ΔH_f, kcal/mol:	-46.2
Dipole, Da:	3.88
IP(EA), eV:	-8.47(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=NO)I)OCC

DOS

IR

Vibrations