Geometry & MOs

Info

ID:	375429
PubChem CID:	131529663
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	249.91217
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	3.1
IP(EA), eV:	-8.36(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-ol

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)C(CC#N)N)CCO2

DOS

IR

Vibrations