Geometry & MOs

Info

ID:	206053
PubChem CID:	80194326
Reduced:	ON3C8H19 (1)
Stoich.:	AB3C8D19 (1)
Weight, g/mol:	326.00885
ΔH_f, kcal/mol:	-51.04
Dipole, Da:	3.41
IP(EA), eV:	-9.13(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(2-methyloxolan-2-yl)methyl]-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=NC)N

DOS

IR

Vibrations