Geometry & MOs

Info

ID:	221489
PubChem CID:	85273773
Reduced:	BSeC16H29 (1)
Stoich.:	ABC16D29 (1)
Weight, g/mol:	309.97755
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	1.49
IP(EA), eV:	-7.9(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(imidazol-1-ylmethyl)-2,3-dihydro-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

B(C=C[Se]CC)(C1CCCCC1)C2CCCCC2

DOS

IR

Vibrations