Geometry & MOs

Info

ID:	126986
PubChem CID:	50986568
Reduced:	O2F3N3C10H14 (1)
Stoich.:	A2B3C3D10E14 (1)
Weight, g/mol:	368.205298
ΔH_f, kcal/mol:	-218.09
Dipole, Da:	3.51
IP(EA), eV:	-9.61(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dodecylsulfanylmethyl)-1H-benzimidazol-1-ium;chloride

Drug info:

PubChemData

Smile

CC(C)CN1C(=CC=N1)NC(=O)OCC(F)(F)F

DOS

IR

Vibrations