Geometry & MOs

Info

ID:	279925
PubChem CID:	103845736
Reduced:	ON2C4H4 (2)
Stoich.:	AB2C4D4 (2)
Weight, g/mol:	332.01941
ΔH_f, kcal/mol:	25.55
Dipole, Da:	3.15
IP(EA), eV:	-10.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=N1)CN=[N+]=[N-]

DOS

IR

Vibrations