Geometry & MOs

Info

ID:	86306
PubChem CID:	49884011
Reduced:	ClNC16H33 (1)
Stoich.:	ABC16D33 (1)
Weight, g/mol:	301.056622
ΔH_f, kcal/mol:	-44.46
Dipole, Da:	1.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-benzimidazole;chloride

Drug info:

PubChemData

Smile

CCCC1(CCC(N1)(CCC)CCC)CCC.[Cl-]

DOS

IR

Vibrations